Information card for entry 2243937

Structure parameters

• Chemical name: Poly[[μ~4~-4-(3,5-dinitropyrazol-4-yl)-3,5-dinitropyrazol-1-ido]rubidium]
• Formula: C6 H N8 O8 Rb
• Calculated formula: C6 H N8 O8 Rb
• Title of publication: Isostructural rubidium and caesium 4-(3,5-dinitropyrazol-4-yl)-3,5-dinitropyrazolates: crystal engineering with polynitro energetic species
• Authors of publication: Domasevitch, Kostiantyn V.; Ponomarova, Vira V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 11
• a: 19.44 ± 0.0015 Å
• b: 8.607 ± 0.0004 Å
• c: 16.0977 ± 0.001 Å
• α: 90°
• β: 115.264 ± 0.007°
• γ: 90°
• Cell volume: 2435.8 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes