Information card for entry 4306184

Structure parameters

• Common name: [(C6H6)Cu(CNArMes2)3]OTf
• Formula: C82 H81 Cu F3 N3 O3 S
• Calculated formula: C82 H81 Cu F3 N3 O3 S
• SMILES: [Cu](C#[N]c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C#[N]c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C#[N]c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.S(=O)(=O)([O-])C(F)(F)F.c1ccccc1
• Title of publication: Solution Behavior and Structural Properties of Cu(I) Complexes Featuringm-Terphenyl Isocyanides
• Authors of publication: Brian J. Fox; Queena Y. Sun; Antonio G. DiPasquale; Alexander R. Fox; Arnold L. Rheingold; Joshua S. Figueroa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9010 - 9020
• a: 13.649 ± 0.003 Å
• b: 20.164 ± 0.004 Å
• c: 25.5 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7018 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No