Information card for entry 2205943

Structure parameters

• Chemical name: Triaqua(2,2'-bipyridine)(4-sulfonatobenzoato)manganese(II) monohydrate
• Formula: C17 H20 Mn N2 O9 S
• Calculated formula: C17 H20 Mn N2 O9 S
• Title of publication: Triaqua(2,2'-bipyridine)(4-sulfonatobenzoato)manganese(II) monohydrate containing seven-coordinate manganese
• Authors of publication: Zhang, Li-Ping; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1036 - m1038
• a: 10.3822 ± 0.0006 Å
• b: 17.6359 ± 0.001 Å
• c: 11.4516 ± 0.0007 Å
• α: 90°
• β: 105.191 ± 0.001°
• γ: 90°
• Cell volume: 2023.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0788
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.299
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes