Information card for entry 2204841

Structure parameters

• Chemical name: Hexaaquamanganese(II) bis[5-(4-cyanophenyl)-2H-tetrazolate]
• Formula: C16 H20 Mn N10 O6
• Calculated formula: C16 H20 Mn N10 O6
• Title of publication: Hexaaquamanganese(II) bis[5-(4-cyanophenyl)-2<i>H</i>-tetrazolate]
• Authors of publication: Ma,Zhijie; Tao, Jun; Huang, Rong-Bin; Zhang, Lan-Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m1 - m2
• a: 13.5565 ± 0.0009 Å
• b: 10.2568 ± 0.0007 Å
• c: 8.1885 ± 0.0005 Å
• α: 90°
• β: 99.524 ± 0.001°
• γ: 90°
• Cell volume: 1122.89 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes