Information card for entry 2238833

Structure parameters

• Chemical name: Bis(5-amino-1<i>H</i>-tetrazole-κ<i>N</i>^4^)diaqua(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cadmium
• Formula: C4 H10 Cd N10 O6
• Calculated formula: C4 H10 Cd N10 O6
• SMILES: [Cd]1(OC(=O)C(=O)O1)([OH2])([OH2])([n]1nn[nH]c1N)[n]1nn[nH]c1N
• Title of publication: Bis(5-amino-1<i>H</i>-tetrazole-κ<i>N</i>^4^)diaqua(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cadmium
• Authors of publication: Liang, Qian; Wang, Yulin; Zhao, Yan; Cao, Gaojuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: m645 - m646
• a: 12.537 ± 0.003 Å
• b: 6.6745 ± 0.0013 Å
• c: 28.975 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2424.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No