Information card for entry 4305696

Structure parameters

• Formula: C44 H39 Cl Fe2 N4 O6 S2
• Calculated formula: C44.5 H39 Cl Fe2 N4 O6 S2
• Title of publication: Facile Synthesis and Functionality-Dependent Electrochemistry of Fe-Only Hydrogenase Mimics
• Authors of publication: Gang Si; Wen-Guang Wang; Hong-Yan Wang; Chen-Ho Tung; Li-Zhu Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8101 - 8111
• a: 8.4258 ± 0.0017 Å
• b: 9.934 ± 0.002 Å
• c: 26.979 ± 0.005 Å
• α: 91.19 ± 0.03°
• β: 98.12 ± 0.03°
• γ: 97.05 ± 0.03°
• Cell volume: 2217 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0649
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No