Information card for entry 7702477

Structure parameters

• Formula: C90 H105 Fe6 O30 P9
• Calculated formula: C90 H105 Fe6 O30 P9
• 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: 11.462 ± 0.002 Å
• b: 17.092 ± 0.003 Å
• c: 27.804 ± 0.006 Å
• α: 80.91 ± 0.03°
• β: 88.26 ± 0.03°
• γ: 81.62 ± 0.03°
• Cell volume: 5321.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections: 0.239
• Weighted residual factors for significantly intense reflections: 0.1877
• Goodness-of-fit parameter for all reflections: 1.131
• Goodness-of-fit parameter for significantly intense reflections: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No