Information card for entry 2232794

Structure parameters

• Chemical name: Aqua(4-fluorobenzoato-κ<i>O</i>)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')manganese(II) 4-fluorobenzoate trihydrate
• Formula: C38 H32 F2 Mn N4 O8
• Calculated formula: C38 H32 F2 Mn N4 O8
• SMILES: [Mn]12([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)(OC(=O)c1ccc(F)cc1)[OH2].[O-]C(=O)c1ccc(F)cc1.O.O.O
• Title of publication: Aqua(4-fluorobenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 4-fluorobenzoate trihydrate
• Authors of publication: Li, Yun-Xia; Zhang, Bi-Song; Wu, Chang-Sheng; Zheng, Miao; Lin, Jian-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1853
• a: 8.8897 ± 0.0017 Å
• b: 14.773 ± 0.003 Å
• c: 14.89 ± 0.003 Å
• α: 107.815 ± 0.004°
• β: 107.314 ± 0.004°
• γ: 91.386 ± 0.004°
• Cell volume: 1763 ± 0.6 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes