Information card for entry 7007137

Structure parameters

• Formula: C2 H7 N5
• Calculated formula: C2 H7 N5
• SMILES: [n-]1nnnc1C.[NH4+]
• Title of publication: Syntheses and structures of metal tetrazole coordination polymers.
• Authors of publication: Zhang, Xian-Ming; Zhao, Yan-Fei; Wu, Hai-Shun; Batten, Stuart R.; Ng, Seik Weng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 26
• Pages of publication: 3170 - 3178
• a: 20.67 ± 0.02 Å
• b: 20.64 ± 0.02 Å
• c: 11.329 ± 0.011 Å
• α: 90°
• β: 118.008 ± 0.015°
• γ: 90°
• Cell volume: 4267 ± 7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No