Information card for entry 7102928

Structure parameters

• Common name: (BP2)Cu(N2CMes2)
• Formula: C49 H72 B Cu N2 P2
• Calculated formula: C49 H72 B Cu N2 P2
• SMILES: [Cu]1([P](C[B](c2ccccc2)(c2ccccc2)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[N]#N=C(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Diazoalkanes react with a bis(phosphino)borate copper(i) source to generate [Ph2BP(tBu)2]Cu(eta1-N2CR2), [Ph2BP(tBu)2]Cu(CPh2), and [Ph2BP(tBu)2]Cu-N(CPh2)(NCPh2).
• Authors of publication: Mankad, Neal P; Peters, Jonas C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 9
• Pages of publication: 1061 - 1063
• a: 11.6975 ± 0.0016 Å
• b: 17.955 ± 0.002 Å
• c: 23.035 ± 0.003 Å
• α: 90°
• β: 91.707 ± 0.004°
• γ: 90°
• Cell volume: 4836.1 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.136
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No