Information card for entry 4321542

Structure parameters

• Formula: C17 H43 Co Fe N11 Na O8
• Calculated formula: C17 H27 Co Fe N11 Na O8.5
• SMILES: C1[NH]2CCC[NH]3CC[NH]4[Co]523([NH2]C(C)(C[NH]5C1)C4)[N]#C[Fe](C#N)(C#N)(C#N)(C#N)C#N.O.[Na+].O.O.O.O.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: 15.58 ± 0.01 Å
• b: 19.797 ± 0.004 Å
• c: 19.83 ± 0.006 Å
• α: 90°
• β: 91.62 ± 0.04°
• γ: 90°
• Cell volume: 6114 ± 5 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: 0.2596
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.2488
• Weighted residual factors for all reflections included in the refinement: 0.3455
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No