Information card for entry 7000430

Structure parameters

• Common name: Copper(i),(n'n-diphenyl-6-aminofulvene-2-aldimine)bis(phenyl isocyanide)
• Chemical name: Copper(I),(n'n-diphenyl-6-aminofulvene-2-aldimine)bis(phenyl isocyanide)
• Formula: C33 H25 Cu N4
• Calculated formula: C33 H25 Cu N4
• SMILES: [Cu]1(N(C=C2C=CC=C2C=[N]1c1ccccc1)c1ccccc1)(C#[N]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: 9.917 ± 0.0003 Å
• b: 10.865 ± 0.0004 Å
• c: 14.53 ± 0.0006 Å
• α: 106.474 ± 0.001°
• β: 97.129 ± 0.002°
• γ: 112.271 ± 0.002°
• Cell volume: 1341.18 ± 0.09 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: 0.0572
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No