Information card for entry 7000948

Structure parameters

• Formula: C2 H4 Mn N4 O4
• Calculated formula: C2 H4 Mn N4 O4
• 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: 6.3545 ± 0.0019 Å
• b: 6.4339 ± 0.0019 Å
• c: 15.144 ± 0.005 Å
• α: 90°
• β: 97.953 ± 0.005°
• γ: 90°
• Cell volume: 613.2 ± 0.3 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: 0.0718
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No