Information card for entry 2007444

Structure parameters

• Chemical name: Bis(3,5-dimethylpyrazole-N)(N-salicylidene-α-amino-2-methylpropanoato-O,N,O')- copper(II)
• Formula: C21 H27 Cu N5 O3
• Calculated formula: C21 H27 Cu N5 O3
• SMILES: [Cu]12(Oc3ccccc3C=[N]1C(C(=O)O2)(C)C)([n]1[nH]c(cc1C)C)[n]1[nH]c(cc1C)C
• Title of publication: Bis(3,5-dimethylpyrazole-<i>N</i>^2^)(2,2-dimethyl-<i>N</i>-salicylideneglycinato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
• Authors of publication: Warda, Salam A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 916 - 918
• a: 9.4468 ± 0.0009 Å
• b: 10.7321 ± 0.0008 Å
• c: 10.9452 ± 0.0009 Å
• α: 91.601 ± 0.008°
• β: 93.036 ± 0.009°
• γ: 92.609 ± 0.009°
• Cell volume: 1106.45 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No