Information card for entry 2212508

Structure parameters

• Chemical name: catena-Poly[[(2,2'-bipyridyl-κ^2^N,N')manganese(II)]-di-μ-3,5- dinitrobenzoato-κ^4^O:O']
• Formula: C24 H14 Mn N6 O12
• Calculated formula: C24 H14 Mn N6 O12
• SMILES: [Mn]12([O]=C(O[Mn]3([O]=C(O2)c2cc(N(=O)=O)cc(N(=O)=O)c2)[n]2ccccc2c2[n]3cccc2)c2cc(N(=O)=O)cc(N(=O)=O)c2)(OC(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)(OC(=O)c2cc(N(=O)=O)cc(N(=O)=O)c2)[n]2ccccc2c2[n]1cccc2
• Title of publication: <i>catena</i>-Poly[[(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-di-μ-3,5-dinitrobenzoato-κ^4^<i>O</i>:<i>O</i>']
• Authors of publication: Guo, Hong-Xu; Chen, Jian-Xin; Wang, Qing-Hua; You, Xiu-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m915 - m917
• a: 7.81 ± 0.0005 Å
• b: 11.97 ± 0.0004 Å
• c: 14.7695 ± 0.0003 Å
• α: 103.834 ± 0.003°
• β: 104.393 ± 0.003°
• γ: 90.169 ± 0.003°
• Cell volume: 1295.75 ± 0.1 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: 0.0509
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes