Information card for entry 7000429

Structure parameters

• Common name: Copper(i),(n'n-diphenyl-6-aminofulvene-2-aldimine)(phenyl isocyanide)
• Chemical name: Copper(I),(n'n-diphenyl-6-aminofulvene-2-aldimine)(phenyl isocyanide)
• Formula: C26 H20 Cu N3
• Calculated formula: C26 H20 Cu N3
• SMILES: [Cu]1(N(C=C2C(C=[N]1c1ccccc1)=CC=C2)c1ccccc1)C#[N]c1ccccc1
• Title of publication: Unprecedented double migratory insertion of phenyl isocyanide into cyclopentadienyl C‒H bonds
• Authors of publication: Johnson, Andrew L.; Willcocks, Alexander M.; Raithby, Paul R.; Warren, Mark R.; Kingsley, Andrew J.; Odedra, Raj
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 6
• Pages of publication: 922 - 924
• a: 10.19 ± 0.0004 Å
• b: 10.197 ± 0.0005 Å
• c: 10.312 ± 0.0005 Å
• α: 80.536 ± 0.002°
• β: 80.213 ± 0.002°
• γ: 83.978 ± 0.003°
• Cell volume: 1038.26 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No