Information card for entry 7123285

Structure parameters

• Formula: C41 H29 N P S3 V
• Calculated formula: C41 H29 N P S3 V
• Title of publication: Catalytic hydrazine disproportionation mediated by a thiolate-bridged VFe complex
• Authors of publication: Gu, Nina Xiao; Ung, Gaël; Peters, Jonas C.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 23.1043 ± 0.0011 Å
• b: 17.8047 ± 0.0009 Å
• c: 16.7185 ± 0.0009 Å
• α: 90°
• β: 95.257 ± 0.003°
• γ: 90°
• Cell volume: 6848.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No