Information card for entry 2206259

Structure parameters

• Chemical name: Diaquatetraimidazolecobalt(II) dibromide
• Formula: C12 H20 Br2 Co N8 O2
• Calculated formula: C12 H20 Br2 Co N8 O2
• SMILES: c1c[nH]c[n]1[Co]([n]1c[nH]cc1)([OH2])([n]1cc[nH]c1)([n]1c[nH]cc1)[OH2].[Br-].[Br-]
• Title of publication: Diaquatetraimidazolecobalt(II) dibromide
• Authors of publication: Zhang, Hui; Fang, Liang; Yuan, Runzhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1389 - m1390
• a: 12.6213 ± 0.0018 Å
• b: 11.2582 ± 0.0016 Å
• c: 14.291 ± 0.002 Å
• α: 90°
• β: 109.869 ± 0.003°
• γ: 90°
• Cell volume: 1909.8 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0252
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes