Information card for entry 2313033

Structure parameters

• Chemical name: Poly[[μ-3,3'-dinitro-4,4'-bipyrazole-1,1'-diido]dipotassium]
• Formula: C6 H2 K2 N6 O4
• Calculated formula: C6 H2 K2 N6 O4
• Title of publication: Dibasic 3,3'-di-nitro-4,4'-bipyrazole-1,1'-diides of K, Rb and Cs reveal metal-selective ring-π over ring-N coordination.
• Authors of publication: Domasevitch, Kostiantyn V.; Ponomarova, Vira V.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 6
• Pages of publication: 683 - 691
• a: 18.7276 ± 0.0019 Å
• b: 3.7683 ± 0.0003 Å
• c: 13.9808 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 986.64 ± 0.16 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No