Information card for entry 7043371

Structure parameters

• Chemical name: Calcium 5-oxotetrazolate pentahydrate
• Formula: C5 H28 Ca2 N20 O16
• Calculated formula: C5 H28 Ca2 N20 O16
• Title of publication: Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable
• Authors of publication: He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.9853 ± 0.001 Å
• b: 24.4542 ± 0.0015 Å
• c: 6.7717 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2481.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 66
• Hermann-Mauguin space group symbol: C c c m
• Hall space group symbol: -C 2 2c
• Residual factor for all reflections: 0.1415
• Residual factor for significantly intense reflections: 0.129
• Weighted residual factors for significantly intense reflections: 0.2995
• Weighted residual factors for all reflections included in the refinement: 0.3075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No