Information card for entry 4321777

Structure parameters

• Formula: C18 H37 Co Fe N11 Na O4
• Calculated formula: C18 H29 Co Fe N11 Na O4
• SMILES: O.O.O.C1C[NH]2CCC[NH]3CC4(C[NH]5CCC[NH]1[Co]235([NH2]4)[N]#C[Fe](C#N)(C#N)(C#N)(C#N)C#N)C.[Na+].O
• Title of publication: The First Structurally Characterized Discrete Dinuclear μ-Cyano Hexacyanoferrate Complex
• Authors of publication: Paul V. Bernhardt; Manuel Martinez
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 424 - 425
• a: 21.224 ± 0.005 Å
• b: 10.7537 ± 0.0008 Å
• c: 22.723 ± 0.005 Å
• α: 90°
• β: 116.76 ± 0.01°
• γ: 90°
• Cell volume: 4630.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1928
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections: 0.3227
• Weighted residual factors for significantly intense reflections: 0.2453
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No