Information card for entry 2216739

Structure parameters

• Chemical name: catena-Poly[[tetraaquamanganese(II)]-μ-6,6'-dihydroxy-3,3'- diazenediyldibenzoato-κ^2^O:O']
• Formula: C14 H16 Mn N2 O10
• Calculated formula: C14 H16 Mn N2 O10
• SMILES: [Mn]([OH2])(OC(=O)c1cc(/N=N/c2ccc(O)c(c2)C(=O)[O-])ccc1O)([OH2])([OH2])([OH2])OC(=O)c1c(O)ccc(/N=N/c2cc(C(=O)O[Mn]([OH2])([OH2])([OH2])[OH2])c(O)cc2)c1
• Title of publication: <i>catena</i>-Poly[[tetraaquamanganese(II)]-μ-6,6'-dihydroxy-3,3'-diazenediyldibenzoato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Tan, Yu-Hui; Huang, Zhi-Qin; Chen, Shao-Hu; Xie, Xiao-Bin; Xia, Li-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2948 - m2949
• a: 9.486 ± 0.002 Å
• b: 11.49 ± 0.003 Å
• c: 16.322 ± 0.004 Å
• α: 90°
• β: 106.076 ± 0.003°
• γ: 90°
• Cell volume: 1709.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.546
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes