Information card for entry 4321541

Structure parameters

• Formula: C11 H27 Cl3 Co N5 O8
• Calculated formula: C11 H27 Cl3 Co N5 O8
• SMILES: [Co]1234([NH]5CC([NH2]4)(C)C[NH]1CC[NH]2CCC[NH]3CC5)Cl.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Discrete Dinuclear Cyano-Bridged Complexes
• Authors of publication: Paul V. Bernhardt; Brendan P. Macpherson; Manuel Martinez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5203 - 5208
• a: 11.833 ± 0.003 Å
• b: 13.363 ± 0.002 Å
• c: 26.015 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4113.6 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0759
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No