Information card for entry 8104650

Structure parameters

• Formula: C18 H12 Br2 Cu N4 O2
• Calculated formula: C18 H12 Br2 Cu N4 O2
• Title of publication: The crystal structure of bis[4-bromo-2-(1H-pyrazol-3-yl) phenolato-κ2 N,O] copper(II), C18H12Br2CuN4O2
• Authors of publication: Jaćimović, Željko K.; Tomić, Zoran D.; Giester, Gerald; Libowitzky, Eugen; Ajanović, Atifa; Kosović, Milica
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1003 - 1005
• a: 11.5165 ± 0.0011 Å
• b: 5.4369 ± 0.0005 Å
• c: 14.4872 ± 0.0014 Å
• α: 90°
• β: 105.639 ± 0.002°
• γ: 90°
• Cell volume: 873.52 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.033
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No