Information card for entry 4303084

Structure parameters

• Common name: [(THF)2Cu(CNArDipp2)2]OTf
• Formula: C71 H90 Cu F3 N2 O5 S
• Calculated formula: C71 H90 Cu F3 N2 O5 S
• SMILES: [Cu]([O]1CCCC1)(C#[N]c1c(cccc1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)([O]1CCCC1)C#[N]c1c(cccc1c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C.FC(S(=O)(=O)[O-])(F)F
• 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: 12.002 ± 0.005 Å
• b: 34 ± 0.005 Å
• c: 18.363 ± 0.005 Å
• α: 90 ± 0.005°
• β: 107.463 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7148 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.116
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No