Information card for entry 7009610

Structure parameters

• Formula: C17 H21 Cu N7 O6
• Calculated formula: C17 H21 Cu N7 O6
• SMILES: [Cu]12(ON(=O)=O)(ON(=O)=O)[n]3c(cccc3Cn3[n]2c(cc3C)C)Cn2[n]1c(cc2C)C
• Title of publication: Structural and spectral diversities in copper(II) complexes of 2,6-bis(3,5-dimethylpyrazol-1-ylmethyl)pyridine ‡
• Authors of publication: Manikandan, Palanichamy; Justin Thomas, K. R.; Manoharan, Periakaruppan T.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 2779
• a: 11.119 ± 0.007 Å
• b: 10.541 ± 0.003 Å
• c: 17.65 ± 0.004 Å
• α: 90°
• β: 91.74 ± 0.03°
• γ: 90°
• Cell volume: 2067.7 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections: 0.1546
• Weighted residual factors for significantly intense reflections: 0.1226
• Goodness-of-fit parameter for all reflections: 1.11
• Goodness-of-fit parameter for significantly intense reflections: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No