Information card for entry 2022931

Structure parameters

• Common name: Bis(3-amino-1<i>H</i>-pyrazole-κ<i>N</i>^2^)bis(5-amino-1<i>H</i>-pyrazole-κ<i>N</i>^2^)bis(nitrato-κ<i>O</i>)copper(II)
• Chemical name: bis(3-aminopyrazole-κ<i>N</i>^1^)bis(3-aminoyrazole-\ κ<i>N</i>^2^)bis(nitrato-κ<i>O</i>)copper(II)
• Formula: C12 H20 Cu N14 O6
• Calculated formula: C12 H20 Cu N14 O6
• Title of publication: Crystal structure and Hirshfeld surface analysis of bis-(3-aminopyrazole-κ<i>N</i>¹)bis-(3-aminopyrazole-κ<i>N</i>²)bis-(nitrato-κ<i>O</i>)copper(II).
• Authors of publication: Kucheriv, Olesia I.; Golenya, Irina A.; Prysiazhna, Olena; Partsevska, Sofiia V.; Gural'skiy, Il'ya A.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 11
• Pages of publication: 1100 - 1103
• a: 8.83222 ± 0.00018 Å
• b: 9.9714 ± 0.0002 Å
• c: 12.1043 ± 0.0002 Å
• α: 90°
• β: 97.6408 ± 0.0019°
• γ: 90°
• Cell volume: 1056.56 ± 0.04 ų
• Cell temperature: 200 ± 0.2 K
• Ambient diffraction temperature: 200 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes