Information card for entry 7103528

Structure parameters

• Formula: C36 H37 Fe2 N O4 P2 S2
• Calculated formula: C36 H37 Fe2 N O4 P2 S2
• Title of publication: A proton-hydride diiron complex with a base-containing diphosphine ligand relevant to the [FeFe]-hydrogenase active site.
• Authors of publication: Wang, Ning; Wang, Mei; Zhang, Tingting; Li, Ping; Liu, Jihong; Sun, Licheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 5800 - 5802
• a: 11.1157 ± 0.0009 Å
• b: 11.4433 ± 0.0008 Å
• c: 14.6215 ± 0.0011 Å
• α: 98.316 ± 0.005°
• β: 100.308 ± 0.005°
• γ: 97.616 ± 0.005°
• Cell volume: 1786.5 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No