Information card for entry 2215759

Structure parameters

• Chemical name: (2,9-Dimethyl-1,10-phenanthroline-κ^2^N,N')bis(3-hydroxybenzoato- κ^2^O,O')manganese(II) 2,9-dimethyl-1,10-phenanthroline solvate dihydrate
• Formula: C42 H38 Mn N4 O8
• Calculated formula: C42 H38 Mn N4 O8
• SMILES: [Mn]123(OC(=[O]1)c1cccc(O)c1)(OC(=[O]2)c1cc(O)ccc1)[n]1c(C)ccc2ccc4ccc([n]3c4c12)C.n1c(ccc2ccc3ccc(nc3c12)C)C.O.O
• Title of publication: (2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(3-hydroxybenzoato-κ^2^<i>O</i>,<i>O</i>')manganese(II) 2,9-dimethyl-1,10-phenanthroline dihydrate
• Authors of publication: Xuan, Xiao-peng; Zhao, Pei-zheng; Zhang, Shu-xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2813 - m2814
• a: 10.701 ± 0.0009 Å
• b: 24.865 ± 0.002 Å
• c: 14.5083 ± 0.0012 Å
• α: 90°
• β: 94.514 ± 0.001°
• γ: 90°
• Cell volume: 3848.4 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1701
• 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