Information card for entry 4318958

Structure parameters

• Formula: C22 H32 Mn N4 O12 S2
• Calculated formula: C22 H20 Mn N4 O12 S2
• Title of publication: Novel Hydrogen-Bonded Three-Dimensional Networks Encapsulating One-Dimensional Covalent Chains: [M(4,4'-bipy)(H2O)4](4-abs)2.nH2O (4,4'-bipy = 4,4'-Bipyridine; 4-abs = 4-Aminobenzenesulfonate) (M = Co, n = 1; M = Mn, n = 2)
• Authors of publication: Yonghui Wang; Liyun Feng; Yangguang Li; Changwen Hu; Enbo Wang; Ninghai Hu; Hengqing Jia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6351 - 6357
• a: 15.0833 ± 0.0014 Å
• b: 8.2887 ± 0.0004 Å
• c: 23.2228 ± 0.0015 Å
• α: 90°
• β: 95.186 ± 0.003°
• γ: 90°
• Cell volume: 2891.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0793
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No