Information card for entry 2213912

Structure parameters

• Chemical name: Triaqua[2-(4-carboxylatophenoxy)propionato-κ<i>O</i>](1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')manganese(II) monohydrate
• Formula: C22 H24 Mn N2 O9
• Calculated formula: C22 H24 Mn N2 O9
• SMILES: [Mn]1([OH2])([OH2])([OH2])(OC(=O)c2ccc(OC(C)C(=O)[O-])cc2)[n]2cccc3ccc4ccc[n]1c4c23.O
• Title of publication: Triaqua[2-(4-carboxylatophenoxy)propionato-κ<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) monohydrate
• Authors of publication: Xiao, Ying-Hui; Kong, Li-Li; Gao, Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1587 - m1588
• a: 7.5457 ± 0.0015 Å
• b: 11.073 ± 0.002 Å
• c: 15.372 ± 0.003 Å
• α: 106.16 ± 0.03°
• β: 99.53 ± 0.03°
• γ: 103.14 ± 0.03°
• Cell volume: 1164.8 ± 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: 0.0961
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes