Information card for entry 4303085

Structure parameters

• Common name: (OTf)Cu(CNArDipp2)2
• Formula: C67 H82 Cl8 Cu F3 N2 O3 S
• Calculated formula: C67 H82 Cl8 Cu F3 N2 O3 S
• Title of publication: Effective Control of Ligation and Geometric Isomerism: Direct Comparison of Steric Properties Associated with Bis-mesityl and Bis-diisopropylphenyl m-Terphenyl Isocyanides
• Authors of publication: Treffly B. Ditri; Brian J. Fox; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8362 - 8375
• a: 22.0775 ± 0.0017 Å
• b: 13.8153 ± 0.0012 Å
• c: 23.525 ± 0.002 Å
• α: 90°
• β: 100.02 ± 0.005°
• γ: 90°
• Cell volume: 7065.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.095
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No