Information card for entry 7702476

Structure parameters

• Formula: C28 H26 Fe2 O8 P2
• Calculated formula: C28 H26 Fe2 O8 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: 10.954 ± 0.002 Å
• b: 11.645 ± 0.002 Å
• c: 13.745 ± 0.002 Å
• α: 109.43 ± 0.03°
• β: 99.92 ± 0.03°
• γ: 102.79 ± 0.03°
• Cell volume: 1553.7 ± 0.7 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: 0.0874
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections: 0.195
• Weighted residual factors for significantly intense reflections: 0.1671
• Goodness-of-fit parameter for all reflections: 1.079
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No