Information card for entry 4334145

Structure parameters

• Formula: C41 H54 Cl2 Mo N5 O3 S3
• Calculated formula: C41 H54 Cl2 Mo N5 O3 S3
• Title of publication: Oxo-Mo(IV)(dithiolene)thiolato Complexes: Analogue of Reduced Sulfite Oxidase
• Authors of publication: Joyee Mitra; Sabyasachi Sarkar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3032 - 3042
• a: 9.395 ± 0.005 Å
• b: 12.62 ± 0.005 Å
• c: 20.057 ± 0.005 Å
• α: 72.033 ± 0.005°
• β: 83.842 ± 0.005°
• γ: 79.266 ± 0.005°
• Cell volume: 2219.3 ± 1.6 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: 0.0864
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.2381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No