Information card for entry 2200743

Structure parameters

• Chemical name: Tetrakis(triphenylphosphine)-bis(μ-tricyanomethanido)dicopper(I)
• Formula: C80 H60 Cu2 N6 P4
• Calculated formula: C80 H60 Cu2 N6 P4
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)N=C=C(C#[N][Cu]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)N=C=C(C#[N]1)C#N)C#N
• Title of publication: Bis(μ-tricyanomethanido)tetrakis(triphenylphosphine)dicopper(I)
• Authors of publication: Karl E. Bessler; Leandro A. de P. Calzavara; Victor M. Deflon; Elke Niquet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: m522 - m523
• a: 12.113 ± 0.003 Å
• b: 12.853 ± 0.0016 Å
• c: 13.0084 ± 0.0014 Å
• α: 85.113 ± 0.011°
• β: 69.29 ± 0.012°
• γ: 66.945 ± 0.013°
• Cell volume: 1739.7 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes