Information card for entry 4076908

Structure parameters

• Formula: C46 H45 B2 F12 Fe2 N5 O P2
• Calculated formula: C46.01 H40 B2 F12 Fe2 N5 O1.01 P2
• Title of publication: Electronic Communication in a Series of Novel Multistep Redox Systems
• Authors of publication: Ma, Kuangbiao; Fabrizi de Biani, Fabrizia; Bolte, Michael; Zanello, Piero; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 3979
• a: 28.385 ± 0.004 Å
• b: 8.21 ± 0.001 Å
• c: 39.339 ± 0.006 Å
• α: 90°
• β: 93.34 ± 0.01°
• γ: 90°
• Cell volume: 9152 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2661
• Residual factor for significantly intense reflections: 0.1442
• Weighted residual factors for significantly intense reflections: 0.2987
• Weighted residual factors for all reflections included in the refinement: 0.3605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No