Information card for entry 7000428

Structure parameters

• Common name: Copper(i),(h5-cyclopentadienyl)(phenyl isocyanide)
• Chemical name: Copper(I),(h5-cyclopentadienyl)(phenyl isocyanide)
• Formula: C12 H10 Cu N
• Calculated formula: C12 H10 Cu N
• SMILES: [Cu]1234([cH]5[cH]4[cH]3[cH]2[cH]15)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: 5.569 ± 0.0001 Å
• b: 8 ± 0.0002 Å
• c: 23.7374 ± 0.0007 Å
• α: 90°
• β: 98.623 ± 0.001°
• γ: 90°
• Cell volume: 1045.59 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No