Information card for entry 2217630

Structure parameters

• Chemical name: Diaquabis(2,2'-biimidazole)cobalt(II) dichloride
• Formula: C12 H16 Cl2 Co N8 O2
• Calculated formula: C12 H16 Cl2 Co N8 O2
• SMILES: c12c3[n]([Co]4([n]1cc[nH]2)([OH2])([n]1c(c2[n]4cc[nH]2)[nH]cc1)[OH2])cc[nH]3.[Cl-].[Cl-]
• Title of publication: Diaquabis(2,2'-biimidazole)cobalt(II) dichloride
• Authors of publication: Lan-Cui Zhang; Zai-Ming Zhu; Wan-Sheng You; Song Chang; En-Bo Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m308 - m308
• a: 22.037 ± 0.003 Å
• b: 12.5321 ± 0.0017 Å
• c: 9.6421 ± 0.0013 Å
• α: 90°
• β: 95.848 ± 0.002°
• γ: 90°
• Cell volume: 2649 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes