Information card for entry 4331586

Structure parameters

• Formula: C30 H76 Cl2 Co2 Fe N16 O17
• Calculated formula: C30 H58 Cl2 Co2 Fe N16 O16.99
• Title of publication: Dinuclear Cyano-Bridged CoIII−FeIIComplexes as Precursors for Molecular Mixed-Valence Complexes of Higher Nuclearity
• Authors of publication: Bernhardt, Paul V.; Bozoglián, Fernando; González, Gabriel; Martínez, Manuel; Macpherson, Brendan P.; Sienra, Beatriz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 74 - 82
• a: 15.273 ± 0.002 Å
• b: 11.297 ± 0.001 Å
• c: 30.747 ± 0.006 Å
• α: 90°
• β: 90.14 ± 0.02°
• γ: 90°
• Cell volume: 5305 ± 1.3 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: 0.2342
• Residual factor for significantly intense reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.3212
• Weighted residual factors for all reflections included in the refinement: 0.3854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No