Information card for entry 4313100

Structure parameters

• Formula: C68 H99 Fe2 N25 O4
• Calculated formula: C69 H96 Fe2 N24 O4
• 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: 14.5944 ± 0.0012 Å
• b: 20.215 ± 0.002 Å
• c: 14.4511 ± 0.0012 Å
• α: 90°
• β: 111.34 ± 0.02°
• γ: 90°
• Cell volume: 3971.1 ± 0.8 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: 0.1033
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections: 0.2638
• Weighted residual factors for significantly intense reflections: 0.2236
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No