Information card for entry 7062984

Structure parameters

• Formula: C22 H30 Cl2 Cu N6 O10
• Calculated formula: C22 H30 Cl2 Cu N6 O10
• Title of publication: Synergistic effects of steric constraints and non-covalent interactions in copper(ii) chloro-nitro-benzoato complexes: synthesis, structural characterization, theoretical investigations, antimicrobial studies, and molecular docking analyses
• Authors of publication: Chauhan, Chetan; Kumar, Santosh; Kumar, Rajesh; Saini, Anju; Aree, Thammarat
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 3829 - 3848
• a: 7.2188 ± 0.001 Å
• b: 7.2384 ± 0.0011 Å
• c: 13.1301 ± 0.0019 Å
• α: 96.606 ± 0.004°
• β: 90.314 ± 0.004°
• γ: 99.721 ± 0.004°
• Cell volume: 671.52 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No