Information card for entry 7011330

Structure parameters

• Formula: C17 H45 Co Fe N11 Na O9
• Calculated formula: C17 H27 Co Fe N11 Na O9
• SMILES: C1[NH]2CC[NH]3CCC[NH]4CC[NH]5CC1(C)[NH2][Co]2345[N]#C[Fe](C#N)(C#N)(C#N)(C#N)C#N.O.O.O.[Na+].O.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: 14.758 ± 0.003 Å
• b: 10.496 ± 0.001 Å
• c: 19.359 ± 0.003 Å
• α: 90°
• β: 92 ± 0.02°
• γ: 90°
• Cell volume: 2996.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1114
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.2016
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No