Information card for entry 2244202

Structure parameters

• Chemical name: Diaquadinitratobis(4-nitroaniline)copper(II)
• Formula: C12 H16 Cu N6 O12
• Calculated formula: C12 H16 Cu N6 O12
• SMILES: c1(ccc(cc1)N(=O)=O)[NH2][Cu](ON(=O)=O)([OH2])([NH2]c1ccc(cc1)N(=O)=O)(ON(=O)=O)[OH2]
• Title of publication: Synthesis, structure and Hirshfeld surface analysis of diaquadinitratobis(4-nitroaniline)copper(II)
• Authors of publication: Kamolov, Sanjar; Babaev, Bakhrom; Ibragimov, Aziz; Yakubov, Yuldash; Abdullaev, Akhrorjon; Ibragimov, Bakhtiyar; Ashurov, Jamshid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 12
• a: 5.4741 ± 0.0002 Å
• b: 22.5679 ± 0.0006 Å
• c: 7.6478 ± 0.0002 Å
• α: 90°
• β: 92.286 ± 0.003°
• γ: 90°
• Cell volume: 944.05 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0579
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes