Information card for entry 4064897

Structure parameters

• Formula: C24 H13 Cl2 Fe4 N3 O14 S4
• Calculated formula: C24 H11.5 Cl2 Fe4 N3 O14 S4
• Title of publication: Synthesis and Characterization of Single, Double, and Triple Butterfly [2Fe2E] (E = Se, S) Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases
• Authors of publication: Gao, Wei; Song, Li-Cheng; Yin, Bang-Shao; Zan, Hui-Ning; Wang, De-Fu; Song, Hai-Bin
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 4097
• a: 16.102 ± 0.003 Å
• b: 20.117 ± 0.004 Å
• c: 23.671 ± 0.005 Å
• α: 90.33 ± 0.03°
• β: 99.69 ± 0.03°
• γ: 107.96 ± 0.03°
• Cell volume: 7176 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No