Information card for entry 7011331

Structure parameters

• Formula: C17 H37 Co Fe N11 O4
• Calculated formula: C17 H27 Co Fe N11 O4
• SMILES: [Co]1234([NH]5CC([NH2]4)(C[NH]3CC[NH]2CCC[NH]1CC5)C)[N]#C[Fe](C#N)(C#N)(C#N)(C#N)C#N.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: 9.492 ± 0.001 Å
• b: 14.709 ± 0.002 Å
• c: 18.76 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2619.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.4689
• Residual factor for significantly intense reflections: 0.1079
• Weighted residual factors for significantly intense reflections: 0.214
• Weighted residual factors for all reflections included in the refinement: 0.3623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No