Information card for entry 4325927

Structure parameters

• Formula: C43 H44 Cl2 Cr Mn3 N3 O12 S2
• Calculated formula: C43 H44 Cl2 Cr Mn3 N3 O12 S2
• Title of publication: Stepwise Construction of Manganese-Chromium Carbonyl Chalcogenide Complexes: Synthesis, Electrochemical Properties, and Computational Studies
• Authors of publication: Minghuey Shieh; Chia-Yeh Miu; Kuo-Chih Huang; Chung-Feng Lee; Bao-Gun Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7735 - 7748
• a: 12.2105 ± 0.0004 Å
• b: 13.2732 ± 0.0004 Å
• c: 16.8203 ± 0.0006 Å
• α: 68.679 ± 0.002°
• β: 85.157 ± 0.002°
• γ: 88.312 ± 0.001°
• Cell volume: 2530.46 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No