Information card for entry 2013644

Structure parameters

• Chemical name: aquadichlorobis(1H-imidazole)nickel(II)
• Formula: C6 H12 Cl2 N4 Ni O2
• Calculated formula: C6 H12 Cl2 N4 Ni O2
• SMILES: c1c[nH]c[n]1[Ni](Cl)([OH2])(Cl)([n]1cc[nH]c1)[OH2]
• Title of publication: Two isomorphous imidazole (Him) complexes: [<i>M</i>Cl~2~(Him)~2~(H~2~O)~2~] (<i>M</i>=Co and Ni)
• Authors of publication: Ana María Atria; Piedad Cortés; María Teresa Garland; Ricardo Baggio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m396 - m398
• a: 9.1185 ± 0.0007 Å
• b: 7.9344 ± 0.0006 Å
• c: 15.5636 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1126.02 ± 0.15 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: 0.0368
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No