Information card for entry 7123284

Structure parameters

• Formula: C67.82 H74.56 Fe N4 O0.95 P3 S3 Si V
• Calculated formula: C67.84 H74.6 Fe N4 O0.96 P3 S3 Si 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: 15.535 ± 0.004 Å
• b: 19.966 ± 0.005 Å
• c: 19.83 ± 0.005 Å
• α: 90°
• β: 94.207 ± 0.011°
• γ: 90°
• Cell volume: 6134 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.262
• Residual factor for significantly intense reflections: 0.1821
• Weighted residual factors for significantly intense reflections: 0.3402
• Weighted residual factors for all reflections included in the refinement: 0.3944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No