Information card for entry 2205787

Structure parameters

• Chemical name: (μ-Formato-κ^2^O:O')aquachloro(1,10-phenanthroline-κ^2^N,N')manganese(II) monohydrate
• Formula: C13 H13 Cl Mn N2 O4
• Calculated formula: C13 H13 Cl Mn N2 O4
• SMILES: [Mn]1(Cl)(OC=O)([OH2])([n]2cccc3ccc4ccc[n]1c4c23)[O]=CO[Mn]1(Cl)([OH2])[n]2cccc3ccc4ccc[n]1c4c23.O.O
• Title of publication: (μ-Formato-κ^2^<i>O</i>:<i>O</i>')aquachloro(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) monohydrate
• Authors of publication: Jing Xiong; Wei-Dong Wang; Hong-Ping Xiao; Mao-Lin Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m901 - m903
• a: 19.2667 ± 0.0017 Å
• b: 11.1275 ± 0.001 Å
• c: 6.6484 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1425.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No