Information card for entry 7000951

Structure parameters

• Formula: C12 H8 Mn N6 O2
• Calculated formula: C12 H8 Mn N6 O2
• 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: 13.626 ± 0.003 Å
• b: 14.908 ± 0.003 Å
• c: 7.4402 ± 0.0015 Å
• α: 90°
• β: 121.61 ± 0.03°
• γ: 90°
• Cell volume: 1287.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.162
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No