Information card for entry 4308249

Structure parameters

• Formula: C33.5 H32 B Cl F4 Fe2 O4 P2 S2
• Calculated formula: C33.5 H32 B Cl F4 Fe2 O4 P2 S2
• Title of publication: Evidence for the Formation of Terminal Hydrides by Protonation of an Asymmetric Iron Hydrogenase Active Site Mimic
• Authors of publication: Salah Ezzaher; Jean-François Capon; Frédéric Gloaguen; François Y. Pétillon; Philippe Schollhammer; Jean Talarmin; Roger Pichon; Nelly Kervarec
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3426 - 3428
• a: 11.9437 ± 0.0004 Å
• b: 9.6134 ± 0.0003 Å
• c: 31.1947 ± 0.001 Å
• α: 90 ± 0.003°
• β: 95.608 ± 0.003°
• γ: 90 ± 0.003°
• Cell volume: 3564.6 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 9
• 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: 0.0534
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No