Information card for entry 2202902

Structure parameters

• Chemical name: hexakis(1H-imidazole-κN^3^)cobalt(II) dichloride tetrahydrate
• Formula: C18 H32 Cl2 Co N12 O4
• Calculated formula: C18 H32 Cl2 Co N12 O4
• SMILES: c1[n]([Co]([n]2c[nH]cc2)([n]2c[nH]cc2)([n]2c[nH]cc2)([n]2c[nH]cc2)[n]2c[nH]cc2)cc[nH]1.O.O.[Cl-].O.O.[Cl-]
• Title of publication: Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II) dichloride tetrahydrate
• Authors of publication: Zhu, Hai-Liang; Qiu, Xiao-Yang; Zhong-Duo Xiong; You, Zhong-Lu; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m1089 - m1090
• a: 8.783 ± 0.004 Å
• b: 9.064 ± 0.004 Å
• c: 10.575 ± 0.005 Å
• α: 75.156 ± 0.005°
• β: 83.105 ± 0.006°
• γ: 61.848 ± 0.005°
• Cell volume: 717.5 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes