Information card for entry 2222525

Structure parameters

• Chemical name: Bis(μ-4-nitrophthalato)bis[diaqua(1,10-phenanthroline)manganese(II)]
• Formula: C40 H30 Mn2 N6 O16
• Calculated formula: C40 H30 Mn2 N6 O16
• SMILES: [n]12c3c4c(ccc3ccc1)ccc[n]4[Mn]12([OH2])(OC(=O)c2c(cc(cc2)N(=O)=O)C(=O)O[Mn]2([n]3cccc4c3c3[n]2cccc3cc4)(OC(=O)c2c(cc(cc2)N(=O)=O)C(=O)O1)([OH2])[OH2])[OH2]
• Title of publication: Bis(μ-4-nitrophthalato)bis[diaqua(1,10-phenanthroline)manganese(II)]
• Authors of publication: Xu, Bi-Yi; Xie, Ting; Lu, Sheng-Jun; Xue, Bin; Li, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m856 - m857
• a: 7.1601 ± 0.0009 Å
• b: 20.039 ± 0.003 Å
• c: 26.592 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3815.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes