Information card for entry 4306182

Structure parameters

• Common name: ICu(CNArMes2)3
• Formula: C105 H135 Cu I N3 O7.5
• Calculated formula: C75 H75 Cu I N3
• SMILES: C(#[N]c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[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)I
• 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: 14.5797 ± 0.0014 Å
• b: 14.8369 ± 0.0014 Å
• c: 24.492 ± 0.002 Å
• α: 83.659 ± 0.001°
• β: 72.719 ± 0.001°
• γ: 85.132 ± 0.001°
• Cell volume: 5020.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No