Information card for entry 8105172

Structure parameters

• Formula: C23 H23 Br4 Cu N3 O3
• Calculated formula: C23 H23 Br4 Cu N3 O3
• SMILES: Brc1c2O[Cu]34Oc5c(Br)cc(Br)cc5C=[N]4[C@H]4[C@@H]([N]3=Cc2cc(Br)c1)CCCC4.N(C)(C)C=O
• Title of publication: Crystal structure of {2,2′-{cyclohexane-1,2-diylbis[(azanylylidene)methylylidene]}bis(2,4-dibromophenolato)-κ4 N,N′,O,O′}copper(II) ─ diethylformamide (1/1), C23H23Br4CuN3O3
• Authors of publication: Li, Weili; Bo, Yang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 185 - 187
• a: 10.4769 ± 0.0004 Å
• b: 10.7829 ± 0.0005 Å
• c: 12.9824 ± 0.0005 Å
• α: 98.153 ± 0.002°
• β: 111.484 ± 0.002°
• γ: 105.035 ± 0.002°
• Cell volume: 1271.43 ± 0.1 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.0429
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No