Information card for entry 2204951

Structure parameters

• Chemical name: tris(ethylenediamine-κ^2^N,N')cobalt(III) chloride diiodide monohydrate
• Formula: C6 H26 Cl Co I2 N6 O
• Calculated formula: C6 H26 Cl Co I2 N6 O
• SMILES: [I-].[I-].O.C1C[NH2][Co]23([NH2]1)([NH2]CC[NH2]3)[NH2]CC[NH2]2.[Cl-]
• Title of publication: A new cobalt(III) ethylenediamine complex with mixed halide counter-anions, [Co(en)~3~](Cl)(I)~2~·H~2~O
• Authors of publication: Zhang, Zhang-Jing; Zheng, Fa-Kun; Fu, Ming-Lai; Guo, Guo-Cong; Huang, Jin-Shun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m89 - m91
• a: 11.2374 ± 0.0008 Å
• b: 11.2374 ± 0.0008 Å
• c: 24.648 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2695.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 182
• Hermann-Mauguin space group symbol: P 63 2 2
• Hall space group symbol: P 6c 2c
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes