Information card for entry 8106589

Structure parameters

• Formula: C42 H40 Cl2 Mn N6 O10 S2
• Calculated formula: C42 H40 Cl2 Mn N6 O10 S2
• Title of publication: Crystal structure of poly[diaqua-(μ2-4,4′-bipyridine-κ2 N:N′)manganese(II)] bis(4-chlorobenzenesulfonate) – 4,4′-bipyridine – water (1/1/2) C42H40Cl2MnN6O10S2
• Authors of publication: Chen, Xiao-Miao; Liu, Zheng-Jun; Deng, Tao-Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 4
• Pages of publication: 513 - 515
• a: 16.822 ± 0.014 Å
• b: 11.552 ± 0.009 Å
• c: 22.021 ± 0.017 Å
• α: 90°
• β: 91.92 ± 0.013°
• γ: 90°
• Cell volume: 4277 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No