Information card for entry 7102929

Structure parameters

• Common name: (BP2)Cu-N(=CPh2)(NCPh2)
• Formula: C56 H70 B Cu N2 P2
• Calculated formula: C56 H70 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(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1
• 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: 12.0749 ± 0.0011 Å
• b: 22.347 ± 0.002 Å
• c: 19.2412 ± 0.0018 Å
• α: 90°
• β: 104.625 ± 0.002°
• γ: 90°
• Cell volume: 5023.8 ± 0.8 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: 0.088
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No