Information card for entry 2212829

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])([OH2])([OH2])([OH2])OC(=O)c1c(O)ccc(c1)/N=N/c1cc(c(O)cc1)C(=O)O[Mn]([OH2])([OH2])([OH2])([OH2])OC(=O)c1c(O)ccc(c1)/N=N/c1cc(c(O)cc1)C(=O)[O-]
• 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: Tang, Yun-Zhi; Tan, Yu-Hui; Cao, Yan-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1175 - m1176
• a: 10.2694 ± 0.0013 Å
• b: 10.2694 ± 0.0013 Å
• c: 30.611 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3228.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes