Information card for entry 2022940

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dibromidocadmium(II)]-bis(μ-3-amino-1<i>H</i>-pyrazole)-κ^2^<i>N</i>^3^:<i>N</i>^2^;κ^2^<i>N</i>^2^:<i>N</i>^3^]
• Formula: C6 H10 Br2 Cd N6
• Calculated formula: C6 H10 Br2 Cd N6
• Title of publication: Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium dibromide
• Authors of publication: Kuzevanova, Iryna S.; Vynohradov, Oleksandr S.; Pavlenko, Vadim A.; Malinkin, Sergey O.; Shova, Sergiu; Fritsky, Igor O.; Seredyuk, Maksym
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 12
• Pages of publication: 1151 - 1154
• a: 5.0515 ± 0.0002 Å
• b: 6.7912 ± 0.0003 Å
• c: 8.7083 ± 0.0006 Å
• α: 83.585 ± 0.004°
• β: 79.907 ± 0.004°
• γ: 86.833 ± 0.003°
• Cell volume: 292.09 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes