Information card for entry 2217010

Structure parameters

• Chemical name: μ-4,4'-Diazenediyldiphthalato-κ^2^O^2^:O^2'^- bis[pentaaquamanganese(II)] tetrahydrate
• Formula: C16 H34 Mn2 N2 O22
• Calculated formula: C16 H34 Mn2 N2 O22
• SMILES: c1(C(=O)[O-])ccc(cc1C(=O)O[Mn]([OH2])([OH2])([OH2])([OH2])[OH2])/N=N/c1ccc(c(C(=O)O[Mn]([OH2])([OH2])([OH2])([OH2])[OH2])c1)C(=O)[O-].O.O.O.O
• Title of publication: μ-4,4'-Diazenediyldiphthalato-κ^2^<i>O</i>^2^:<i>O</i>^2'^-bis[pentaaquamanganese(II)] tetrahydrate
• Authors of publication: Jian-Wei Bai; Jun Wang; Yang Hou; Bao-Zhong Zhao; Qiang Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m3 - m4
• a: 6.9674 ± 0.001 Å
• b: 15.186 ± 0.002 Å
• c: 13.5576 ± 0.0019 Å
• α: 90°
• β: 98.812 ± 0.002°
• γ: 90°
• Cell volume: 1417.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes