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To gain insights into the activity of metal‐based drugs against SARS‐CoV‐2, five rhenium complexes, namely fac‐[Re(CO)3(acac)(PPh2Cy)] (I), fac‐[Re(CO)3(acac)(PPhCy2)] (II), fac‐[Re(CO)3(acac)(PCy3)] (III), fac‐[Re(CO)3(acac)(P(m‐tolyl)3)] (IV), and fac‐[Re(CO)3(acac)(P(p‐tolyl)3)] (V), with acac=acetylacetonato, PPh2Cy=cyclohexyldiphenylphosphine, PPhCy2=dicyclohexylphenylphosphine, PCy3=tricyclohexylphosphine, P(m‐tolyl)3=tri(m‐tolyl)phosphine, and P(p‐tolyl)3=tri(p‐tolyl)phosphine, were docked in the binding pockets of main protease, spike glycoprotein, and RNA‐dependent RNA polymerase. The resulting binding sites revealed potent SARS‐CoV‐2 inhibition, resulting from the formation of classical N−H⋅⋅⋅O and O−H⋅⋅⋅O hydrogen bonds, carbon C−H⋅⋅⋅O H‐bonds, hydrophobic contacts, as well as non‐conventional interactions such as weak C−H⋅⋅⋅N interactions, H⋅⋅⋅H, C⋅⋅⋅H/H⋅⋅⋅C, C⋅⋅⋅lp/lp⋅⋅⋅C and lp⋅⋅⋅lp contacts, cation‐π interactions and π⋅⋅⋅π stacking in the targets' binding pockets. Moreover, we have optimized the molecular structures of these compounds using DFT methods and correlated them correspondingly to their crystal structures. We have estimated and evaluated the associated frontier molecular orbitals, as well as the global reactivity descriptors for which we have discussed the compounds' reactivity. We have also examined intermolecular interactions by carrying out a Hirshfeld surface (HS) analysis, which showed the presence of C−H⋅⋅⋅H−C, C−H⋅⋅⋅C interactions, C−H⋅⋅⋅O non‐classical hydrogen bonds and π⋅⋅⋅π stacking, as well as non‐conventional π⋅⋅⋅lp and lp⋅⋅⋅lp interactions. [ABSTRACT FROM AUTHOR]

In low- to middle-income communities, the lack of affordability of conventional sanitary products during menstrual cycles can cause psychological and health issues, ultimately affecting their quality of life. It is crucial to develop alternative products that are affordable and accessible to all while also promoting menstrual health and hygiene. Super absorbent polymers (SAPs) are a vital component in current disposable sanitary pads and nappies. However, these SAPs are often non-biodegradable and non-biocompatible. Therefore, the use of eco-friendly materials for the production of SAPs is gaining popularity in the hygiene industry, as it offers a means to reduce the carbon footprint and environmental impact associated with traditional SAPs made from non-renewable petroleum-based materials. SAPs made from polysaccharides often have naturally occurring antibacterial properties, making them appealing for commercial applications in sanitary products such as sanitary pads. In addition, the move toward reusable sanitary pads with antibacterial properties can significantly reduce waste generated by single-use products and prevent the growth of bacteria, improving the safety and hygiene of the product. Furthermore, computational modeling and artificial intelligence are now important tools in SAP synthesis, providing advantages such as predicting polymer properties, rationalizing synthesis pathways, and improving quality control. These tools can reduce synthesis costs by eliminating the need for trial-and-error approaches in polymer synthesis, ultimately promoting more affordable products for end users. Overall, these advancements in polymer synthesis and material design can help to create a more sustainable industry and promote menstrual hygiene and product accessibility to those who need it most. [ABSTRACT FROM AUTHOR]

Breast cancer continues to be the biggest cause of mortality for women worldwide, taking the lives of millions each year. As a result, scientists are now exploring the possibility of metal-based complexes as anticancer therapies. Notwithstanding, polypyridyl coordinated Re(I) complexes have demonstrated tremendous promise as cancer-fighting medications. Therefore, the intent of this research is to investigate theoretically the spectral properties, compute density functional theory (DFT), and simulate molecular docking of polypyridyl coordinated Re(I) complexes containing functionalized 2,2′-bipyridine N,N′-donor bidentate ligands: 5,5′-DiMBpy coordinated in (1a), 4,4′-DiMBpy coordinated in (2a), and 4,4′-DiMoxBp coordinated in (3a) for cancer therapy application. Intriguingly, the complex Re(2a) achieved the greatest MolDock score and H-bond energy following interactions with the target receptors utilized, followed by Re(1a) and Re(3), respectively. Thus elucidating the studied compounds to be efficient in the mitigation of breast cancer. [ABSTRACT FROM AUTHOR]

C15H12Br0.2Cl0.8N2O3Re1, monoclinic, P21/c (no. 14), a = 14.6713(4) Å, b = 11.4724(3) Å, c = 9.6206(3) Å, β = 106.592 (3), V = 1551.87(8) Å3, Z = 4, Rgt(F) = 0.0452, wRref(F2) = 0.1110, T = 149.99(10) K. [ABSTRACT FROM AUTHOR]

Two indium(III) complexes, mer-[In(Ox)3]·2H2O (1) and [In2(Ox)2Cl2-μ-[κ2-O,O′-(Ox)2]]·C7H8 (2) (Ox = 8-hydroxyquinolinate), were synthesized and characterised by multi-nuclear NMR in the solid and liquid states. The solid state 1H-NMR spectra of both complexes confirmed the purity of the samples, but in solution it was found that 1 converted to the fac-isomer. The crystal structures of both complexes were determined by single crystal X-ray diffraction. As expected, the In–O bond distance for the bridging oxygen atom is the longest, 2.193 (13) Å. Solid state photoluminescence studies revealed that 1 and 2 showed emission at 530 nm and 500 nm, respectively, after excitation at 350 nm. Their respective quantum efficiencies were 13% and 20%. Lifetime measurements were conducted and the dimer showed a double exponential decay with two decay components recording 7.7 ns (30%) and 19.5 ns (70%), whereas the monomer recorded a mono-exponencial lifetime decay of 17.5 ns. [ABSTRACT FROM AUTHOR]

Each central platinum(II) atom in the crystal structures of chlorido­[dihy­droxybis­(1-imino­eth­oxy)arsanido-κ3N,As,N']platinum(II), [Pt(C4H10AsN2O4)Cl] (1), and of chlorido­[dihy­droxybis­(1-imino­prop­oxy)arsanido-κ3N,As,N']platinum(II), [Pt(C6H14AsN2O4)Cl] (2), is coordinated by two nitro­gen donor atoms, a chlorido ligand and to arsenic, which, in turn, is coordinated by two oxygen donor ligands, two hydroxyl ligands and the platinum(II) atom. The square-planar and trigonal-bipyramidal coordination environments around platinum and arsenic, respectively, are significantly distorted with the largest outliers being 173.90(13) and 106.98(14)° for platinum and arsenic in (1), and 173.20(14)° and 94.20(9)° for (2), respectively. One intra­molecular and four classical inter­molecular hydrogen-bonding inter­actions are observed in the crystal structure of (1), which give rise to an infinite three-dimensional network. A similar situation (one intra­molecular and four classical inter­molecular hydrogen-bonding inter­actions) is observed in the crystal structure of (2). Various π-inter­actions are present in (1) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.7225(7)Å, and between the centroids of five-membered (Pt, As, C, N, O) rings of neighbouring mol­ecules with distances of 3.7456(4) and 3.7960(6)Å. Likewise, weak π-inter­actions are observed in (2) between the platinum(II) atom and the centroid of one of the five-membered rings formed by Pt, As, C, N, O with a distance of 3.8213(2)Å, as well as between the Cl atom and the centroid of a symmetry-related five-membered ring with a distance of 3.8252(12)Å. Differences between (2) and the reported polymorph [Miodragović et al. (2013[Miodragović, D. U., Quentzel, J. A., Kurutz, J. W., Stern, C. L., Ahn, R. W., Kandela, I., Mazar, A. & O'Halloran, T. V. (2013). Angew. Chem. Int. Ed. 52, 10749-10752.]). Angew. Chem. Int. Ed. 52, 10749-10752] are discussed. [ABSTRACT FROM AUTHOR]

This work entails deep red emitting EuIII based complexes with a variety of ternary β-diketonate ligands and 1,10-phenanthroline as the ancillary ligand in the system. The solid state structure and spectroscopic analysis has been outlaid in terms of photoluminescence and crystallography. A luminescence quantum efficiency of 50% was obtained for the [tris-(4,4,4-trifluoro-1-chlorophenyl-butanedione)mono-(1,10-phenanthroline)europium(III)] complexes. Moreover, complexes [tris-(2,2,6,6-tetramethyl-heptanedione)mono-(1,10-phenanthroline) europium(III)] and {[hexa-(benzyl carboxylic acid) bis-(1,10-phenanthroline)di-europium(III)]-μ-[κ2-O,O′-(benzyl carboxylic acid)]2} were found to also have quantum yields of 9% and 28% with respective sensitization efficiencies of 85%, 15% and 58%. These results were articulated with crystallographic details pertaining to the nature of coordination and the effect of steric and electronic properties thereof which somewhat impacts the Eu–N bond distances. A symmetry correlation was drawn between the crystallographic data and the photoluminescence data. [ABSTRACT FROM AUTHOR]

C30H26N4O9Re2Br, triclinic, P 1 ‾ $P\bar{1}$ (no. 2), a = 9.407(6) Å, b = 11.769(8) Å, c = 15.055(11) Å, α = 82.70(2)°, β = 76.68(3)°, γ = 77.364(2)°, V = 1577.5(19) Å3, Z = 2, Rgt(F) = 0.0291, wRref(F2) = 0.0868, T = 100 K. [ABSTRACT FROM AUTHOR]

The title compound, 2-(methylamino)cyclohepta-2,4,6-trien-1-one, C8H9NO, crystallizes in the monoclinic space group P21/c, with three independent molecules in the asymmetric unit. The planarity of the molecules is indicated by planes fitted through the seven ring carbon atoms. Small deviations from the planes, with an extremal r.m.s. deviation of 0.0345 Å, are present. In complexes of transition metals with similar ligands, the large planar seven-membered aromatic rings have shown to improve the stability of the complex. Two types of hydrogen-bonding interactions, C--H···O and N--H···O, are observed, as well as bifurcation of these interactions. The N--H···O interactions link molecules to form infinite chains. The packing of molecules in the unit cell shows a pattern of overlapping aromatic rings, forming column-like formations. π-π interactions are observed between the overlapping aromatic rings at 3.4462 (19) Å from each other. [ABSTRACT FROM AUTHOR]

Methanol substitution in the fac-[Re(CO)3(Trop)(MeOH)] complex (Trop− = tropolonate) was studied with a range of seven nucleophiles, namely pyridine (Py), 4-dimethylaminopyridine (DMAP), imidazole (Im), thiourea (TU), 1-methyl-2-thiourea (MeTU), bromide (Br−) and iodide (I−) at variable temperature, and at ambient and high pressure. The substitution products were characterized by NMR, IR and UV/vis spectroscopy, and by chemical analysis, and the crystal structures of two of these, namely fac-[Re(Trop)(CO)3(Im)] and fac-[Re(Trop)(CO)3(DMAP)], are reported. High-pressure kinetic studies with four of these entering nucleophiles in methanol at 25 °C on fac-[Re(Trop)(CO)3(MeOH)] yielded the following activation volumes, ΔV≠(kL), for the ligation by four nucleophiles as defined by kL (cm3 mol−1): Im: 9.0 ± 0.2; Py: 10.1 ± 0.2; TU: 10.0 ± 0.3 and MeTU: 14.5 ± 0.3. Since these experimental ΔV≠(kL) values were positive but smaller than expected, it was interpreted that these indicated a dissociative/dissociative interchange pathway for these substitution reactions. Kinetic studies at ambient pressure and variable temperature in methanol on fac-[Re(Trop)(CO)3(MeOH)] with a range of eight entering nucleophiles pointed more clearly to a dissociative pathway and yielded the following results, wherein a clear linear free-energy relationship (LFER) was established for the entering nucleophiles Py, DMAP, Im, TU, MeTU, NCS−, Br− and I−, within the following ranges: kL (ligation; M−1 s−1), 0.263 ± 0.001 to 0.765 ± 0.002; k−L (solvolysis; s−1), (0.07 ± 0.01) × 10−3 to 0.674 ± 0.001; KL (equilibrium; M−1); 1.06 ± 0.01 to 2000 ± 500; ΔH≠(kL) (kJ mol−1), 58.0 ± 0.7 to 76.1 ± 0.6, and ΔS≠(kL) (J K−1 mol−1); −55 ± 2 to 6 ± 3. [ABSTRACT FROM AUTHOR]

C63H39Cl12Eu2N6O8, triclinic, P1̄ (no. 2), a = 10.720(5) Å, b = 12.232(5) Å, c = 14.267(5) Å, α = 65.288(32)°, β = 71.325(5)°, γ = 88.067(5)°, V = 1599.1(11) Å3, Z = 1, Rgt(F) = 0.0358, wRref(F2) = 0.0785, T = 293(2) K. [ABSTRACT FROM AUTHOR]

The synthesis and characterization of two dinuclear complexes, namely fac‐hexacarbonyl‐1κ3C,2κ3C‐(pyridine‐1κN)[μ‐2,2′‐sulfanediyldi(ethanethiolato)‐1κ2S1,S3:2κ3S1,S2,S3]dirhenium(I), [Re2(C4H8S3)(C5H5N)(CO)6], (1), and tetraethylammonium fac‐tris(μ‐2‐methoxybenzenethiolato‐κ2S:S)bis[tricarbonylrhenium(I)], (C8H20N)[Re2(C7H7OS)3(CO)6], (2), together with two mononuclear complexes, namely (2,2′‐bithiophene‐5‐carboxylic acid‐κ2S,S′)bromidotricarbonylrhenium(I), (3), and bromidotricarbonyl(methyl benzo[b]thiophene‐2‐carboxylate‐κ2O,S)rhenium(I), (4), are reported. Crystals of (1) and (2) were characterized by X‐ray diffraction. The crystal structure of (1) revealed two Re—S—Re bridges. The thioether S atom only bonds to one of the ReI metal centres, while the geometry of the second ReI metal centre is completed by a pyridine ligand. The structure of (2) is characterized by three S‐atom bridges and an Re…Re nonbonding distance of 3.4879 (5) Å, which is shorter than the distance found for (1) [3.7996 (6)/3.7963 (6) Å], but still clearly a nonbonding distance. Complex (1) is stabilized by six intermolecular hydrogen‐bond interactions and an O…O interaction, while (2) is stabilized by two intermolecular hydrogen‐bond interactions and two O…π interactions. [ABSTRACT FROM AUTHOR]

Five imino salicylidene based bifunctional chelators were developed in order to act as a multipurpose ligand system. The chelators, namely 5-methyl-2-(1,2,4-triazol-3-yliminomethyl)phenol, 2-(9-ethylcarbazol-3-yliminomethyl)-5-methylphenol, 2-[(2-imidazol-4-yl)ethyliminomethyl]-5-methylphenol, 2-[(2-indol-3-yl-ethyl)iminomethyl]-5-methylphenol and 2-[2-(4-hydroxyphenyl)ethyliminomethyl]-5-methylphenol, all of which contain a biological directing functional group on the imine moiety, were investigated via crystallographic and DFT structural studies. Synthesis, in vitro cell testing and photoluminescence are reported indicating specific quantum yields and the respective suitability for radiopharmaceutical development. [ABSTRACT FROM AUTHOR]

C29H28O5PRe, triclinic, P¯1 (no.2), a=12.733(7) Å, b=18.668(11) Å, c=24.779(15) Å, α=101.442(20)°, β=100.844(18)°, γ=104.240(19)°, V =5419(9) Å3, Z =8, Rgt(F)=0.0307, wRref(F2)=0.0772, T =100 K. [ABSTRACT FROM AUTHOR]

Tricarbonylrhenium(I) metallodendrimers functionalized with N,N-2-picolylamino chelates have been synthesized by the [2+1] approach. Methanol substitution reactions of the first- and second-generation poly(propylene amine) tetra- and octanuclear rhenium metallodendrimers by a range of monodentate nucleophiles (i.e. 4-dimethylaminopyridine, pyridine, and bromide ions) were investigated and compared to the substitution reactions of an analogous monomeric complex, fac-[Re(CO)3(N,N-bidentate)(CH3OH)]+. These detailed kinetic studies reveal that a greater activation is achieved using the metallodendrimers with no direct interactions between the metal centers. [ABSTRACT FROM AUTHOR]

Luminescent gallium(III) complexes featuring 5,7-dimethyl-8-hydroxyquinoline (DimOx) are systematically compared and their structural features are correlated with their photophysical properties. The two complexes are chemically identical; however, contain various number of solvent molecules in the crystalline lattice which is representative of the bulk material confirmed by both nuclear magnetic resonance and elemental analysis. Detailed structural comparisons highlight the effect which the solvent molecules have on the intra- and intermolecular interactions. A distinct number of interactions are found for the gallium complex (1) containing more than one solvent molecule for unit cell. Variation in complex morphology is similarly observed via SEM micrographs. The distinct luminescent properties of the two gallium complexes appear directly related to octahedral coordination of the 8-hydroxyquinoline ligand as well as the number of identical coordinated solvent molecules. [ABSTRACT FROM PUBLISHER]

C30H22N4O18Re2, monoclinic, P21/c (no. 14), a=10.167(7) Å, b=17.57(1) Å, c=19.95(1) Å, ß=98.75(1)°, V=3522(9) ų, Z=4, Rgt(F)=0.0275, wRref(F²)=0.0633, T=100(2) K. [ABSTRACT FROM AUTHOR]

C16H21O8N2F6Re, triclinic, P1̅, a = 9.161(5) Å, b = 10.283(5) Å, c = 12.974(5) Å, α = 87.739(5)°, β = 78.339(5)°, γ = 75.047(5)°, V = 1156.3(10) Å3, Z = 2, Rgt (F) = 0.037, wRref (F2 ) = 0.1012, T = 100(2) K. [ABSTRACT FROM AUTHOR]

C22H20BrN3O2, monoclinic, P21/c (no. 14), a = 15.889(12) Å, b = 16.332(13) Å, c = 7.324(5) Å, β = 94.985(5), V = 1893(2) Å3, Z = 4, Rgt(F) = 0.0295, wRref(F2) = 0.0790, T = 100(2) K. [ABSTRACT FROM AUTHOR]

C29H28O5PRe, monoclinic, P21/n (no. 14), a = 10.548(5) Å, b = 22.996(5) Å, c = 11.022(5) Å, β = 98.011(5)°, V = 2647.4(18) Å3, Z = 4, Rgt(F) = 0.0306, wRref(F2) = 0.0911, T = 100 K. [ABSTRACT FROM AUTHOR]

C27H24O5PRe, triclinic, P1 (no.2), a=9.0305(17) Å, b=12.084(2) Å, c=12.403(2) Å, α=89.688(6)°, β=70.083(6)°, γ=76.315(6)°, V =1232.2(4) Å3, Z =2, Rgt(F)=0.0180, wRref(F²)=0.0432, T =100(2) K. [ABSTRACT FROM AUTHOR]

Two tricarbonyl complexes of rhenium(I) and manganese(I) coordinated by the ligand 2-{[2-(1 H-imidazol-4-yl)ethyl]iminomethyl}-5-methylphenolate are reported, viz. fac-tricarbonyl(2-{[2-(1 H-imidazol-4-yl-κ N3)ethyl]iminomethyl-κ N}-5-methylphenolato-κ O)rhenium(I) methanol monosolvate, [Re(C16H14N3O4)(CO)3]·CH3OH, (I), and fac-tricarbonyl(2-{[2-(1 H-imidazol-4-yl-κ N3)ethyl]iminomethyl-κ N}-5-methylphenolato-κ O)manganese(I), fac-[Mn(C16H14N3O4)(CO)3], (II), display facial coordination in a distorted octahedral environment. The crystal structure of (I) is stabilized by O-H...O, N-H...O and C-H...O hydrogen-bond interactions, while that of (II) is stabilized by N-H...O hydrogen-bond interactions only. These interactions result in two-dimensional networks and π-π stacking for both structures. [ABSTRACT FROM AUTHOR]

C56H58Cl2O4P4Pd2, monoclinic, P21/ c (no. 14), a = 12.736(2) Å, b = 18.187(2) Å, c = 12.335(2) Å, β = 109.053(4)°, V = 2700.63 Å3, Z = 2, Rgt( F) = 0.034, wRref( F2) = 0.0955, T = 100 K. [ABSTRACT FROM AUTHOR]

The ReI centres of two ReI-tricarbonyl complexes, viz. tricarbonyl(pyridine-κ N){5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olato-κ2 N1, O}rhenium(I), [Re(C23H21N4O)(CO)3], (I), and {5,7-bis[2-(2-methylphenyl)diazen-1-yl]quinolin-8-olato-κ2 N1, O}tricarbonyl(pyridine-κ N)rhenium(I), [Re(C28H23N6O)(CO)3], (II), are facially surrounded by three carbonyl ligands, a pyridine ligand and either a 5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olate [in (I)] or a 5,7-bis[2-(2-methylphenyl)diazen-1-yl]quinolin-8-olate [in (II)] ligand, in a slightly distorted octahedral environment. The crystal structure of (I) is stabilized by two intermolecular C-H...O interactions and that of (II) is stabilized by three intermolecular C-H...O hydrogen-bonding interactions. [ABSTRACT FROM AUTHOR]

The development in crystallography is nothing short of phenomenal, showing an ever increasing trend towards applications, such as in molecular biology. 'Traditional' small molecule chemical crystallography tends to, in many aspects, be considered as trivial due to the exponential growth in computing power and the parallel expansion in software. However, many dynamic processes (still) occur at the molecular level. Thus, the fundamental understanding of subtle nuances in structural behaviour, and the associated influence on other (kinetic) properties, is often trivialized when conclusions are simply made based on thermodynamic observations alone. This review aims to emphasize the importance of crystallography in small molecule chemistry by presenting detailed evaluations of two extended 'case studies', i.e. the first on structure and dynamics of the middle transition metal cyanide-oxido complexes, and the second on rhodium model homogeneous catalyst precursors. Both underline the fact of understanding the overarching principles of dynamics, i.e. time-resolved behaviour of processes, but considered from a structural perspective. The reference point is to focus on an integrated and overarching mechanistic approach, utilizing structural data, but in particular reaction kinetics, to obtain a more complete picture of processes or systems being evaluated. [ABSTRACT FROM AUTHOR]

Two rhenium(I) complexes of the form fac-[Re(L-L')(CO)3(S)] were synthesized (L-L' = N-O salen-type bidentate ligand, S = coordinating methanol or pyridine) and the crystal structures of fac-[tricarbonylmethanol-(2-(3-methylbutyliminomethyl)phenolato)rhenium(I)] and fac-[tricarbonyl-(2-(3-methylbutyliminomethyl)phenolato)pyridinerhenium(I)] are reported. The influence of the coordinating neutral monodentate ligand in these fac-[tricarbonyl(N,O-salen)rhenium(I)] complexes was investigated both in solid state and at theoretical level using X-ray diffraction, IR, NMR, and DFT calculations. [ABSTRACT FROM AUTHOR]

C34H24Mn2N2O8, triclinic, P1 (no. 2) a=7.737(5) Å, b= 9.483(5) Å, c=11.309(5) Å, β=102.514(5)°, V=766.6(7) ų, Z=1, Rgt(F)=0.0478, wRref(F²)=0.1297, T=100(2) K [ABSTRACT FROM AUTHOR]

C7H3N2O7, C8H20N, monoclinic, P21/n, a = 11.477(3) Å, b = 6.858(1) Å, c = 21.254(5) Å, β = 92.96(1)°, V = 1670.6(9) Å3, Z = 4, Rgt (F) = 0.0432, wRref (F2 ) = 0.1279, T = 100(2) K. [ABSTRACT FROM AUTHOR]

C21H14ClN, orthorhombic, Pca21 (No. 29), a = 7.6860(5) Å, b = 10.1610(5) Å, c = 19.8990(5) Å, V = 1554.1(13) Å3, Z = 4, Rgt (F) = 0.0318, wRref (F2 ) = 0.0783, T = 100(2) K. [ABSTRACT FROM AUTHOR]

C8H20Cl6N1Ta1, monoclinic, P 21/ n (no. 14), a = 7.1550(4) Å, b = 10.0090(6) Å, c = 11.6290(4) Å, β = 98.487(5)°, V = 823.7(8) Å3, Z = 2, Rgt (F) = 0.0207, wRref (F2 ) = 0.0531, T = 100(2) K. [ABSTRACT FROM AUTHOR]

C20H15N3O·H2O, triclinic, P1̅ (No. 2), a = 7.066(3) Å, b = 9.996(4) Å, c = 12.873(5) Å, α = 86.007(14)°, β = 74.861(14)°, γ = 69.596(13)°, V = 822.4(6) Å3, Z = 2, Rgt (F) = 0.0424, wRref (F2 ) = 0.1241, T = 100 K. [ABSTRACT FROM AUTHOR]

C15H15Cl2NbO4, monoclinic, P21/n (no. 14), a = 16.623(4) Å, b = 6.855(2) Å, c = 16.690(4) Å, β = 114.238(8)°, V = 1734.2 ų, Z = 4, Rgt(F) = 0.0404, wRref(F²) = 0.111, T = 100 K. [ABSTRACT FROM AUTHOR]

CH10CoKO10P2, orthorhombic, Pnma (no. 62), a = 14.034(2) Å, b = 9.322(5) Å, c = 8.504(4) Å, V = 1112.5 ų, Z = 4,Rgt(F) = 0.0367, wRref(F²) = 0.1061, T = 100 K. [ABSTRACT FROM AUTHOR]

Copyright of Zeitschrift für Kristallographie / New Crystal Structures is the property of De Gruyter and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Copyright of Zeitschrift für Kristallographie / New Crystal Structures is the property of De Gruyter and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

The article discusses the crystal structure of mono-μ-oxo-bis[di(5-chloro-7-iodoquinolin-8-olato-κ2N,O)-chloro-(dimethylformamido-κO)zirconium(IV)]dimethylformamide solvate. It is noted that of N,O-bidentate ligands are used in metal complexes as models for homogeneous catalysts and radiopharmaceutical development.

The article presents a study which focuses on the crystal structure and synthesis of tetrakis. Investigated is the chelation behavior of multidentate ligands as well as the crystallization of dimethylformamide solvent molecules. Also analyzed are radiopharmaceuticals synthon complexes and intermolecular interactions.

Copyright of Zeitschrift für Kristallographie / New Crystal Structures is the property of De Gruyter and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

The article presents a study which focuses on the crystal structure and synthesis of the interaction of transition metals. Mentioned is the construction of an equatorial plane as well as the radiopharmaceutical synthons. Explored is the distorted octahedral geometry of niobium, along with the structure of tantalum compound.

Copyright of Zeitschrift für Kristallographie / New Crystal Structures is the property of De Gruyter and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)