Information card for entry 7243043

Structure parameters

• Formula: C24 H22 Cl2 Cu N2 O12
• Calculated formula: C24 H22 Cl2 Cu N2 O12
• Title of publication: Unprecedented copper(ii) coordination induced nucleophilic cleavage of a quinoxaline heterocycle: structural and computational studies
• Authors of publication: Bandopadhyay, Nilaj; Joshi, Mayank; Armaković, Stevan; Armaković, Sanja J.; Das, Hari Sankar; Roy Choudhury, Angshuman; Biswas, Bhaskar
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 29
• Pages of publication: 5078 - 5086
• a: 7.6654 ± 0.0004 Å
• b: 12.3371 ± 0.0005 Å
• c: 14.5545 ± 0.0007 Å
• α: 90°
• β: 96.846 ± 0.004°
• γ: 90°
• Cell volume: 1366.59 ± 0.11 ų
• Cell temperature: 298 ± 0.2 K
• Ambient diffraction temperature: 298 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.0993
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No