Information card for entry 4313101

Structure parameters

• Formula: C87.5 H141 Fe2 N14 O8
• Calculated formula: C87.5 H130 Fe2 N14 O8
• Title of publication: Dinuclear Cyano Complexes of Cobalt(III) and Iron(III) Containing Noninnocent 1,2,4,5-Tetrakis(2-pyridinecarboxamido)benzene Bridging Ligands
• Authors of publication: Udo Beckmann; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1045 - 1056
• a: 14.0065 ± 0.0012 Å
• b: 27.069 ± 0.002 Å
• c: 12.7579 ± 0.001 Å
• α: 90°
• β: 95.38 ± 0.02°
• γ: 90°
• Cell volume: 4815.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1081
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections: 0.1721
• Weighted residual factors for significantly intense reflections: 0.1449
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No