Information card for entry 4325928

Structure parameters

• Formula: C85 H98 Cl2 Cr2 Mn6 N6 O24 Se4
• Calculated formula: C85 H96 Cl2 Cr2 Mn6 N6 O24 Se4
• 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: 13.2857 ± 0.0001 Å
• b: 20.3204 ± 0.0002 Å
• c: 35.379 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9551.29 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P c a n
• Hall space group symbol: -P 2n 2c
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No