Information card for entry 4325929

Structure parameters

• Formula: C91 H61 Cr2 Mn3 N2 O19 P4 S2
• Calculated formula: C91 H61 Cr2 Mn3 N2 O19 P4 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: 14.5057 ± 0.0016 Å
• b: 15.0176 ± 0.0016 Å
• c: 23.78 ± 0.003 Å
• α: 79.726 ± 0.008°
• β: 83.814 ± 0.007°
• γ: 64.256 ± 0.006°
• Cell volume: 4588.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2791
• Residual factor for significantly intense reflections: 0.1211
• Weighted residual factors for significantly intense reflections: 0.2948
• Weighted residual factors for all reflections included in the refinement: 0.3845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No