Information card for entry 2222739

Structure parameters

• Chemical name: Bis[4-(4-pyridyl)pyridinium] μ-4,4'-bipyridine-bis[tetraaqua(4,4'-bipyridine)manganese(II)] bis(5-sulfonatobenzene-1,3-dicarboxylate) 4,4'-bipyridine solvate pentadecahydrate
• Formula: C76 H102 Mn2 N12 O37 S2
• Calculated formula: C76 H102 Mn2 N12 O37 S2
• Title of publication: Bis[4-(4-pyridyl)pyridinium] μ-4,4'-bipyridine-bis[tetraaqua(4,4'-bipyridine)manganese(II)] bis(5-sulfonatobenzene-1,3-dicarboxylate) 4,4'-bipyridine solvate pentadecahydrate
• Authors of publication: Zhang, Bing-Yu; Nie, Jing-Jing; Xu, Duan-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m975 - m976
• a: 45.393 ± 0.013 Å
• b: 10.946 ± 0.003 Å
• c: 19.641 ± 0.006 Å
• α: 90°
• β: 112.704 ± 0.009°
• γ: 90°
• Cell volume: 9003 ± 5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.0739
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes