Information card for entry 7043441

Structure parameters

• Formula: C32 H23 Br2 Cl4 Fe2 N O8 S2
• Calculated formula: C32 H23 Br2 Cl4 Fe2 N O8 S2
• Title of publication: [FeFe]-Hydrogenase H-Cluster Mimics Mediated by Naphthalene Monoimide Derivatives of Peri-Substituted Dichalcogenides
• Authors of publication: Weigand, Wolfgang; Abul-Futouh, Hassan; Zagranyarski, Yulian; Müller, Carolin; Schulz, Martin; Kupfer, Stephan; Görls, Helmar; El-khateeb, Mohammad Yaseen; Gräfe, Stefanie; Dietzek, Benjamin; Peneva, Kalina
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.9262 ± 0.0003 Å
• b: 14.1295 ± 0.0003 Å
• c: 19.6116 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3858.98 ± 0.13 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No