Information card for entry 4501743

Structure parameters

• Formula: C6 H5 Mn Mo2 N5 O7
• Calculated formula: C6 H5 Mn Mo2 N5 O7
• Title of publication: A New Molybdenum-Oxide-Based Organic−Inorganic Hybrid Compound Templated by 5-(2-Pyridyl)tetrazole with New Topology and Canted Antiferromagnetism
• Authors of publication: Dong, Ping; Zhang, Qi-Kai; Wang, Fei; Chen, Shan-Ci; Wu, Xiao-Yuan; Zhao, Zhen-Guo; Lu, Can-Zhong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 3218
• a: 7.487 ± 0.004 Å
• b: 11.314 ± 0.006 Å
• c: 13.166 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1115.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No