Information card for entry 2012791

Structure parameters

• Chemical name: [2,6-Bis-(3,5-dimethylpyrazol-1-ylmethyl)pyridine]iodocopper(I) dichloromethane solvate
• Formula: C18 H23 Cl2 Cu I N5
• Calculated formula: C18 H23 Cl2 Cu I N5
• SMILES: [Cu]12([n]3c(cccc3Cn3[n]2c(cc3C)C)Cn2[n]1c(cc2C)C)I.C(Cl)Cl
• Title of publication: [2,6-Bis(3,5-dimethylpyrazol-1-ylmethyl)pyridine]iodocopper(I) dichloromethane solvate
• Authors of publication: Halcrow, Malcolm A.; Kilner, Colin A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m424 - m426
• a: 8.4293 ± 0.0002 Å
• b: 18.833 ± 0.0003 Å
• c: 13.9401 ± 0.0003 Å
• α: 90°
• β: 95.4144 ± 0.0009°
• γ: 90°
• Cell volume: 2203.1 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.046
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes