Information card for entry 2229265

Structure parameters

• Chemical name: Poly[[bis(2,2-bipyridine)bis[μ~6~-5-(carboxylatomethoxy)benzene-1,3- dicarboxylato]trimanganese(II)] monohydrate]
• Formula: C40 H28 Mn3 N4 O15
• Calculated formula: C40 H28 Mn3 N4 O15
• Title of publication: Poly[[bis(2,2-bipyridine)bis[μ~6~-5-(carboxylatomethoxy)benzene-1,3-dicarboxylato]trimanganese(II)] monohydrate]
• Authors of publication: Jiang, Zhan-Guo; Chen, Jing; Feng, Yun-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m259 - m260
• a: 8.5683 ± 0.0001 Å
• b: 25.228 ± 0.0004 Å
• c: 9.7685 ± 0.0001 Å
• α: 90°
• β: 114.633 ± 0.001°
• γ: 90°
• Cell volume: 1919.41 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes