Information card for entry 2203599

Structure parameters

• Formula: C36 H32 Mn N2 O10
• Calculated formula: C36 H32 Mn N2 O10
• SMILES: [Mn]12([OH2])(OC(=[O]1)c1ccc(OC)cc1)(OC(=O)c1ccc(OC)cc1)[n]1c3c4[n]2cccc4ccc3ccc1.OC(=O)c1ccc(OC)cc1
• Title of publication: Aquabis(<i>p</i>-methoxybenzoato)(1,10-phenanthroline)manganese(II) <i>p</i>-methoxybenzoic acid
• Authors of publication: Jian Wang; Liu Ping; Yun Chen; Zheng Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m628 - m630
• a: 10.7353 ± 0.0006 Å
• b: 11.3832 ± 0.0002 Å
• c: 16.0107 ± 0.0001 Å
• α: 76.41 ± 0.03°
• β: 71.56 ± 0.02°
• γ: 62.855 ± 0.018°
• Cell volume: 1642.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0651
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes