Information card for entry 7062118

Structure parameters

• Formula: C24 H25 Cl2 Cu N5 O8
• Calculated formula: C24 H25 Cl2 Cu N5 O8
• Title of publication: Structure–function correlation of mononuclear nonheme copper(ii) compounds based on a ligand backbone effect and phenoxazinone synthase activity
• Authors of publication: Harmalkar, Sarvesh S.; Chari, Vishnu R.; Kunkalekar, Rohan K.; Dhuri, Sunder N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 1852 - 1860
• a: 8.8978 ± 0.0002 Å
• b: 12.9429 ± 0.0003 Å
• c: 13.0536 ± 0.0003 Å
• α: 89.505 ± 0.001°
• β: 71.26 ± 0.001°
• γ: 74.536 ± 0.001°
• Cell volume: 1367.17 ± 0.06 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: 0.0651
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No