Information card for entry 7042497

Structure parameters

• Common name: rubidium 1,1-dinitramino-5,5-bitetrazolate
• Chemical name: rubidium 1,1-dinitramino-5,5-bitetrazolate
• Formula: C2 N12 O4 Rb2
• Calculated formula: C2 N12 O4 Rb2
• SMILES: n1(nnnc1c1n(nnn1)N=N([O-])=O)N=N([O-])=O.[Rb+].[Rb+]
• 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: 5.3034 ± 0.0005 Å
• b: 7.0632 ± 0.0006 Å
• c: 8.5675 ± 0.0007 Å
• α: 66.821 ± 0.008°
• β: 86.667 ± 0.007°
• γ: 70.964 ± 0.008°
• Cell volume: 277.98 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No