Information card for entry 2022871

Structure parameters

• Chemical name: Bis[<i>N</i>-(5-methyl-1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)carbamato-κ<i>O</i>]copper(II) tetrahydrate
• Formula: C10 H20 Cu N6 O8
• Calculated formula: C10 H20 Cu N6 O8
• Title of publication: Carbon dioxide capture from air leading to bis-[<i>N</i>-(5-methyl-1<i>H</i>-pyrazol-3-yl-κ<i>N</i>²)carbamato-κ<i>O</i>]copper(II) tetra-hydrate.
• Authors of publication: Sirenko, Valerii Y.; Kuzevanova, Iryna S.; Vynohradov, Oleksandr S.; Naumova, Dina D.; Shova, Sergiu
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 11
• Pages of publication: 988 - 992
• a: 8.4623 ± 0.0002 Å
• b: 5.6487 ± 0.00016 Å
• c: 17.4536 ± 0.0004 Å
• α: 90°
• β: 98.786 ± 0.002°
• γ: 90°
• Cell volume: 824.51 ± 0.04 ų
• Cell temperature: 199.99 ± 0.11 K
• Ambient diffraction temperature: 199.99 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes