Information card for entry 7702474

Structure parameters

• Formula: C26 H17 Fe2 O6 P
• Calculated formula: C26 H17 Fe2 O6 P
• 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: 9.993 ± 0.002 Å
• b: 14.641 ± 0.003 Å
• c: 18.69 ± 0.004 Å
• α: 90°
• β: 104.49 ± 0.03°
• γ: 90°
• Cell volume: 2647.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.1558
• Weighted residual factors for significantly intense reflections: 0.1304
• Goodness-of-fit parameter for all reflections: 1.079
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No