Information card for entry 2231312

Structure parameters

• Chemical name: Bis[2,6-bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)pyridine]di-μ~3~-iodido- diiodidotetracopper(I)
• Formula: C30 H34 Cu4 I4 N10
• Calculated formula: C30 H34 Cu4 I4 N10
• SMILES: c1ccc2[n]34c1n1c(C)cc([n]1[Cu]14([I]4[Cu]531([I]1[Cu]3645[n]45c(cccc4n4c(cc([n]4[Cu]165I)C)C)n1[n]3c(cc1C)C)[n]1n2c(cc1C)C)I)C
• Title of publication: Bis[2,6-bis(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)pyridine]di-μ~3~-iodido-diiodidotetracopper(I)
• Authors of publication: Jia, Chun-Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1059
• a: 10.196 ± 0.002 Å
• b: 11.425 ± 0.002 Å
• c: 16.572 ± 0.003 Å
• α: 90°
• β: 98.67 ± 0.03°
• γ: 90°
• Cell volume: 1908.4 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0518
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes