Information card for entry 7000947

Structure parameters

• Formula: C4 H20 Mn2 N8 O14
• Calculated formula: C4 H20 Mn2 N8 O14
• SMILES: [n]12n3nnc2C(=O)O[Mn]1([OH2])([OH2])([OH2])n1[n]2c(nn1)C(=O)O[Mn]32([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Coordination chemistry of tetrazolate-5-carboxylate with manganese(ii): synthesis, structure and magnetism
• Authors of publication: Jia, Qin-Xiang; Sun, Wei-Wei; Yao, Cheng-Fu; Wu, Hai-Hong; Gao, En-Qing; Liu, Cai-Ming
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 15
• Pages of publication: 2721 - 2730
• a: 7.333 ± 0.002 Å
• b: 12.979 ± 0.004 Å
• c: 19.813 ± 0.007 Å
• α: 90°
• β: 100.01 ± 0.004°
• γ: 90°
• Cell volume: 1857 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No