Information card for entry 7105844

Structure parameters

• Formula: C71 H70 Cl2 Fe4 N4 O8 P4 S4
• Calculated formula: C71 H70 Cl2 Fe4 N4 O8 P4 S4
• Title of publication: Diiron species containing a cyclic PPh2NPh2 diphosphine related to the [FeFe]H2ases active site
• Authors of publication: Sondes Lounissi; Jean-Francois Capon; Frederic Gloaguen; Fatma Matoussi; Francois Petillon; Philippe Schollhammer; Jean Talarmin
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 878
• a: 10.655 ± 0.0007 Å
• b: 12.7551 ± 0.0009 Å
• c: 14.3432 ± 0.001 Å
• α: 103.409 ± 0.006°
• β: 99.559 ± 0.006°
• γ: 99.746 ± 0.006°
• Cell volume: 1825.5 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No