Information card for entry 2218755

Structure parameters

• Chemical name: Hexkis(1H-imidazole-κN^3^)nickel(II) bis(2,4-dibromo-6-formylphenolate) <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Formula: C38 H44 Br4 N14 Ni O6
• Calculated formula: C38 H44 Br4 N14 Ni O6
• SMILES: c1[n](cc[nH]1)[Ni]([n]1cc[nH]c1)([n]1cc[nH]c1)([n]1cc[nH]c1)([n]1c[nH]cc1)[n]1c[nH]cc1.N(C)(C)C=O.[O-]c1c(Br)cc(Br)cc1C=O.N(C)(C)C=O.O=Cc1c([O-])c(Br)cc(Br)c1
• Title of publication: Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) bis(2,4-dibromo-6-formylphenolate) <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Authors of publication: Ding, Yu; Li, Chunlian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m968
• a: 14.7271 ± 0.0013 Å
• b: 9.0221 ± 0.0008 Å
• c: 18.1143 ± 0.0016 Å
• α: 90°
• β: 100.408 ± 0.002°
• γ: 90°
• Cell volume: 2367.2 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes