Information card for entry 2011451

Structure parameters

• Formula: C12 H16 Cl2 N4 Ni
• Calculated formula: C12 H16 Cl2 N4 Ni
• SMILES: c12c(cccc1)[NH2][Ni]1([NH2]2)([NH2]c2c(cccc2)[NH2]1)(Cl)Cl
• Title of publication: Dichlorobis(1,2-phenylenediamine)nickel(II)
• Authors of publication: Maxcy, Karen R.; Smith, Randy; Willett, Roger D.; Vij, Ashwani
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e454 - e454
• a: 11.3793 ± 0.0002 Å
• b: 5.924 ± 0.0001 Å
• c: 12.1901 ± 0.0001 Å
• α: 90°
• β: 115.31°
• γ: 90°
• Cell volume: 742.865 ± 0.019 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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: 0.025
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes