Information card for entry 2207663

Structure parameters

• Chemical name: [Triaqua(2,2'-bipyridine-κ^2^N,N')(3-carboxyphenoxyacetato-κO)manganese(II)] 3-carboxylphenoxyacetate monohydrate
• Formula: C28 H30 Mn N2 O14
• Calculated formula: C28 H30 Mn N2 O14
• SMILES: [Mn]1([OH2])([OH2])([OH2])(OC(=O)COc2cccc(c2)C(=O)O)[n]2ccccc2c2[n]1cccc2.O.O=C([O-])COc1cccc(c1)C(=O)O
• Title of publication: Triaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(3-carboxyphenoxyacetato-κ<i>O</i>)manganese(II) 3-carboxyphenoxyacetate monohydrate
• Authors of publication: Zhang, Xian-Fa; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2471 - m2473
• a: 6.0749 ± 0.0012 Å
• b: 15.428 ± 0.003 Å
• c: 16.028 ± 0.003 Å
• α: 86.59 ± 0.03°
• β: 86.42 ± 0.03°
• γ: 81.19 ± 0.03°
• Cell volume: 1479.7 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes