Information card for entry 2006699

Structure parameters

• Chemical name: Copper(II) (N,N-bis(3,5-dimethylpyrazolyl-1-ylmethyl)-1-hydroxy- 2-aminoethane)(3,5-dimethyl-pyrazol) bis(perchlorate)
• Formula: C19 H31 Cl2 Cu N7 O9
• Calculated formula: C19 H31 Cl2 Cu N7 O9
• SMILES: [Cu]123([n]4[n](c(cc4C)C)C[N]1(C[n]1[n]2c(cc1C)C)CC[OH]3)[n]1[nH]c(C)cc1C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: [<i>N</i>,<i>N</i>-Bis(3,5-dimethylpyrazol-1-ylmethyl)-1-hydroxy-2-aminoethane](3,5-dimethylpyrazole)copper(II) Diperchlorate
• Authors of publication: Boyd, Peter D. W.; Burrell, Anthony K.; Rickard, Clifton E. F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1549 - 1551
• a: 11.4923 ± 0.0005 Å
• b: 14.3227 ± 0.0007 Å
• c: 8.1715 ± 0.0004 Å
• α: 95.655 ± 0.001°
• β: 94.838 ± 0.001°
• γ: 89.567 ± 0.001°
• Cell volume: 1333.72 ± 0.11 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0442
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections: 0.1161
• Weighted residual factors for significantly intense reflections: 0.1125
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No