Information card for entry 7011332

Structure parameters

• Formula: C17 H37 Co Fe N11 O5
• Calculated formula: C17 H37 Co Fe N11 O5
• SMILES: CC12C[NH]3CC[NH]4CCC[NH]5CC[NH](C1)[Co]345([N]#C[Fe](C#N)(C#N)(C#N)(C#N)C#N)[NH2]2.O.O.O.O.O
• Title of publication: The influence of cis/trans isomerism on the physical properties of a cyano-bridged dinuclear mixed valence complex
• Authors of publication: Paul V. Bernhardt; Brendan P. Macpherson; Manuel Martinez
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1435 - 1441
• a: 9.965 ± 0.002 Å
• b: 13.311 ± 0.001 Å
• c: 20.226 ± 0.004 Å
• α: 90°
• β: 90.72 ± 0.01°
• γ: 90°
• Cell volume: 2682.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1658
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No