Information card for entry 1545382

Structure parameters

• Chemical name: <i>trans</i>-Bis(<i>N</i>-{2-[2-(3-methyl-1<i>H</i>-pyrazol-5-yl-κ<i>N</i>^2^)acetamido-κ<i>O</i>]phenyl}benzamide)bis(perchlorato-κ<i>O</i>)copper(II)
• Formula: C38 H36 Cl2 Cu N8 O12
• Calculated formula: C38 H36 Cl2 Cu N8 O12
• SMILES: [Cu]12([O]=C(Nc3ccccc3NC(=O)c3ccccc3)Cc3[n]1[nH]c(c3)C)(OCl(=O)(=O)=O)([O]=C(Nc1ccccc1NC(=O)c1ccccc1)Cc1[n]2[nH]c(C)c1)OCl(=O)(=O)=O
• Title of publication: <i>trans</i>-Bis(<i>N</i>-{2-[2-(3-methyl-1<i>H</i>-pyrazol-5-yl-κ<i>N</i>^2^)acetamido-κ<i>O</i>]phenyl}benzamide)bis(perchlorato-κ<i>O</i>)copper(II)
• Authors of publication: Chkirate, Karim; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 2
• Pages of publication: x170285
• a: 8.6572 ± 0.0002 Å
• b: 8.8108 ± 0.0002 Å
• c: 14.2054 ± 0.0003 Å
• α: 79.406 ± 0.001°
• β: 86.24 ± 0.001°
• γ: 67.895 ± 0.001°
• Cell volume: 986.78 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes