Information card for entry 2018265

Structure parameters

• Chemical name: {bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)methyl]amine}(3,5- dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)(perchlorato-κ<i>O</i>)copper(II) perchlorate
• Formula: C17 H27 Cl2 Cu N7 O8
• Calculated formula: C17 H27 Cl2 Cu N7 O8
• SMILES: [Cu]12([NH](Cn3[n]2c(cc3C)C)Cn2[n]1c(cc2C)C)(OCl(=O)(=O)=O)[n]1[nH]c(cc1C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: <i>In situ</i> synthesis of mononuclear copper(II) complexes of the new tridentate ligand bis[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]amine
• Authors of publication: Yu, Fan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m331 - m334
• a: 37.574 ± 0.003 Å
• b: 8.5769 ± 0.0004 Å
• c: 15.661 ± 0.001 Å
• α: 90°
• β: 105.938 ± 0.008°
• γ: 90°
• Cell volume: 4853 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes