Information card for entry 4073172

Structure parameters

• Formula: C70 H44 Cl4 Fe2 N6 O7 S2 Zn
• Calculated formula: C70 H44 Cl4 Fe2 N6 O7 S2 Zn
• Title of publication: The Active Site Model for Iron-Only Hydrogenases Coordinatively Bonded to a Metalloporphyrin Photosensitizer
• Authors of publication: Song, Li-Cheng; Tang, Ming-Yi; Mei, Shu-Zhen; Huang, Jin-Hua; Hu, Qing-Mei
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1575
• a: 11.076 ± 0.003 Å
• b: 11.521 ± 0.003 Å
• c: 27.595 ± 0.007 Å
• α: 94.493 ± 0.004°
• β: 98.338 ± 0.004°
• γ: 107.8 ± 0.004°
• Cell volume: 3289.1 ± 1.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1225
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No