Information card for entry 7702475

Structure parameters

• Formula: C47 H42 Fe2 O6 P2
• Calculated formula: C47 H42 Fe2 O6 P2
• Title of publication: α‒βAlkenyl isomerisation at diiron centres
• Authors of publication: Anwar, M. Kamal; Hogarth, Graeme; Senturk, Ozan S.; Clegg, William; Doherty, Simon; Elsegood, Mark R. J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 341
• a: 16.8886 ± 0.0011 Å
• b: 12.9963 ± 0.0008 Å
• c: 19.5996 ± 0.0013 Å
• α: 90°
• β: 104.807 ± 0.002°
• γ: 90°
• Cell volume: 4159 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.115
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No