Information card for entry 2023188

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diiodidocadmium(II)]-bis(μ-3-amino-1<i>H</i>-pyrazole)-κ^2^<i>N</i>^2^:<i>N</i>^3^;κ^2^<i>N</i>^3^:<i>N</i>^2^]
• Formula: C6 H10 Cd I2 N6
• Calculated formula: C6 H10 Cd I2 N6
• Title of publication: Crystal structure of polymeric bis(3-amino-1H-pyrazole)cadmium diiodide
• 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: 2024
• Journal volume: 80
• Journal issue: 8
• a: 5.1007 ± 0.0001 Å
• b: 6.9544 ± 0.0002 Å
• c: 9.047 ± 0.0004 Å
• α: 83.198 ± 0.003°
• β: 79.962 ± 0.003°
• γ: 81.742 ± 0.002°
• Cell volume: 311.289 ± 0.018 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: 0.0708
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No