Information card for entry 7200186

Structure parameters

• Formula: C2 H3 Mn N9 O
• Calculated formula: C2 H3 Mn N9 O
• Title of publication: Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)
• Authors of publication: Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 329
• a: 6.4026 ± 0.0007 Å
• b: 9.7202 ± 0.0009 Å
• c: 10.5861 ± 0.0009 Å
• α: 90°
• β: 95.079 ± 0.005°
• γ: 90°
• Cell volume: 656.23 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No