Information card for entry 4313835

Structure parameters

• Formula: C12 H8 N10 Zn
• Calculated formula: C12 H8 N10 Zn
• Title of publication: Isolation and Crystallographic Characterization of a Solid Precipitate/Intermediate in the Preparation of 5-Substituted 1H-Tetrazoles from Nitrile in Water
• Authors of publication: Li-Zhong Wang; Zhi-Rong Qu; Hong Zhao; Xi-Sen Wang; Ren-Gen Xiong; Zi-Ling Xue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3969 - 3971
• a: 10.119 ± 0.0007 Å
• b: 10.119 ± 0.0007 Å
• c: 13.6166 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1394.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 0.502
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No