Information card for entry 2014621

Structure parameters

• Chemical name: Di-μ-iodo-bis{[1,1'-methylenebis(3,5-dimethyl-4H-pyrazole)]copper(I)}
• Formula: C22 H32 Cu2 I2 N8
• Calculated formula: C22 H32 Cu2 I2 N8
• SMILES: Cc1cc(C)n2Cn3c(C)cc([n]3[Cu]34([I][Cu]54([I]3)[n]3c(C)cc(C)n3Cn3c(C)cc([n]53)C)[n]12)C
• Title of publication: Di-μ-iodo-bis{[1,1'-methylenebis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)]copper(I)}
• Authors of publication: Xu, Ying; Li, Hong-Xi; Zhang, Wen-Hua; Zhang, Yong; Lang, Jian-Ping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m4 - m6
• a: 17.924 ± 0.005 Å
• b: 11.702 ± 0.003 Å
• c: 14.339 ± 0.004 Å
• α: 90°
• β: 112.249 ± 0.006°
• γ: 90°
• Cell volume: 2783.6 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes