Information card for entry 2008969

Structure parameters

• Chemical name: (Pyrazole-N^2^)(2,2-dimethyl-N-salicylideneglycinato-O,N,O')copper(II) pyrazole solvate
• Formula: C34 H38 Cu2 N10 O6
• Calculated formula: C34 H38 Cu2 N10 O6
• SMILES: c12ccccc1C=[N]1C(C(=O)O[Cu]13([n]1[nH]ccc1)[O]2[Cu]12([N](=Cc4c([O]13)cccc4)C(C(=O)O2)(C)C)[n]1[nH]ccc1)(C)C.[nH]1nccc1.[nH]1nccc1
• Title of publication: Dimeric (pyrazole-<i>N</i>^2^)(<i>N</i>-salicylidene-2,2-dimethylglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) pyrazole solvate
• Authors of publication: Elizabeth Hill; Warda, Salam A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1431 - 1434
• a: 11.4095 ± 0.0009 Å
• b: 12.3701 ± 0.0006 Å
• c: 13.1335 ± 0.001 Å
• α: 90°
• β: 92.864 ± 0.009°
• γ: 90°
• Cell volume: 1851.3 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No