Information card for entry 2007211

Structure parameters

• Chemical name: Tetrachloro-bis[3-(2-pyridyl)pyrazolato]-bis(N,N'-dimethyformamide) diindium(III) bis(N,N'-dimethyformamide) solvate
• Formula: C28 H40 Cl4 In2 N10 O4
• Calculated formula: C28 H40 Cl4 In2 N10 O4
• SMILES: C(N(C)C)=[O][In]12(Cl)(Cl)[n]3c(ccn3[In]3(Cl)(Cl)([n]4c(ccn14)c1cccc[n]31)[O]=CN(C)C)c1cccc[n]21.CN(C=O)C.C(=O)N(C)C
• Title of publication: A Dinuclear Indium(III) Complex with Two Pyrazolate Bridging Ligands
• Authors of publication: Ward, Michael D.; Mann, Karen L. V.; Jeffery, John C.; McCleverty, Jon A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 601 - 603
• a: 19.639 ± 0.003 Å
• b: 13.143 ± 0.002 Å
• c: 15.1992 ± 0.0014 Å
• α: 90°
• β: 101.845 ± 0.013°
• γ: 90°
• Cell volume: 3839.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for all reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.0643
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No