Information card for entry 7007138

Structure parameters

• Formula: C2 H7 N4 Na O2
• Calculated formula: C2 H7 N4 Na O2
• SMILES: [Na]12n3c(C)nn[n]3[Na]([OH2]1)([OH2]2)([OH2])([OH2])n1c(C)nnn1
• 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: 6.9599 ± 0.0019 Å
• b: 7.0286 ± 0.0018 Å
• c: 12.127 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 593.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No