Information card for entry 7042499

Structure parameters

• Common name: disodium 1,1-dinitramino-5,5-bitetrazolate dihydrate
• Chemical name: disodium 1,1-dinitramino-5,5-bitetrazolate dihydrate
• Formula: C2 H4 N12 Na2 O6
• Calculated formula: C2 H4 N12 Na2 O6
• SMILES: n1(nnnc1c1n(nnn1)N=N([O-])=O)N=N([O-])=O.[Na+].O.[Na+].O
• Title of publication: Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole.
• Authors of publication: Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 5033 - 5040
• a: 6.2136 ± 0.0003 Å
• b: 10.9858 ± 0.0006 Å
• c: 16.9609 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1157.77 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No