Information card for entry 4339700

Structure parameters

• Formula: C108 H82 Cl2 Mn4 N16 O25 P2 S2
• Calculated formula: C108 H72 Cl2 Mn4 N16 O25 P2 S2
• Title of publication: Novel manganese(II) sulfonate-phosphonates with dinuclear, tetranuclear, and hexanuclear clusters.
• Authors of publication: Du, Zi-Yi; Prosvirin, Andrey V.; Mao, Jiang-Gao
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9884 - 9894
• a: 15.352 ± 0.003 Å
• b: 13.628 ± 0.003 Å
• c: 26.195 ± 0.006 Å
• α: 90°
• β: 102.03 ± 0.003°
• γ: 90°
• Cell volume: 5360 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0935
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2296
• Weighted residual factors for all reflections included in the refinement: 0.2507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No