Information card for entry 2010777

Structure parameters

• Common name: [2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl)pyridine]copper(II)thiocyanate
• Chemical name: [2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl-κN^2^)pyridine-κN] bis(thiocyanato-N)copper(II)
• Formula: C19 H21 Cu N7 S2
• Calculated formula: C19 H21 Cu N7 S2
• SMILES: [Cu]12(n3[n](Cc4[n]2c(ccc4)C[n]2n1c(cc2C)C)c(cc3C)C)(N=C=S)N=C=S
• Title of publication: [2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]bis(thiocyanato-<i>N</i>)copper(II)
• Authors of publication: Manikandan, Palanichamy; Justin Thomas, K. R.; Manoharan, Periakaruppan T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 308 - 309
• a: 11.382 ± 0.005 Å
• b: 12.162 ± 0.004 Å
• c: 15.855 ± 0.007 Å
• α: 90°
• β: 103.31 ± 0.03°
• γ: 90°
• Cell volume: 2135.8 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes