Information card for entry 4306181

Structure parameters

• Common name: (Br)2[(THF)Cu(CNArMes2)]2
• Formula: C62 H74 Br2 Cu2 N2 O3
• Calculated formula: C58 H66 Br2 Cu2 N2 O2
• SMILES: C(#[N]c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[Cu]1([O]2CCCC2)[Br][Cu](C#[N]c2c(cccc2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)([O]2CCCC2)[Br]1
• 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: 8.2999 ± 0.0006 Å
• b: 11.6485 ± 0.0009 Å
• c: 29.157 ± 0.002 Å
• α: 90°
• β: 95.291 ± 0.001°
• γ: 90°
• Cell volume: 2806.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No