Information card for entry 2200437

Structure parameters

• Chemical name: cis-Bis(2,2-bipyridine)dichloronickel(II) methanol solvate
• Formula: C21 H20 Cl2 N4 Ni O
• Calculated formula: C21 H20 Cl2 N4 Ni O
• SMILES: [Ni]12(Cl)(Cl)([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.OC
• Title of publication: <i>cis</i>-Bis(2,2-bipyridine)dichloronickel(II) methanol solvate
• Authors of publication: Fontaine, Frédéric-Georges
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: m270 - m271
• a: 10.455 ± 0.003 Å
• b: 13.83 ± 0.004 Å
• c: 28.548 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4128 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections: 0.79
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes