Information card for entry 4000047

Structure parameters

• Formula: C4 H4 Mn N8 O2
• Calculated formula: C4 H4 Mn N8 O2
• Title of publication: A Novel Azido and Pyrazine-Dioxide Bridged Three-Dimensional Manganese(II) Network with Antiferromagnetic Ordering (TN= 62 K) and a Spin Flop State
• Authors of publication: Ma, Bao-Qing; Sun, Hao-Ling; Gao, Song; Su, Gang
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1946 - 1948
• a: 6.4216 ± 0.0002 Å
• b: 10.099 ± 0.0005 Å
• c: 6.5008 ± 0.0003 Å
• α: 90°
• β: 99.622 ± 0.003°
• γ: 90°
• Cell volume: 415.66 ± 0.03 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: 0.0334
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No