Information card for entry 7102924

Structure parameters

• Common name: ((BP2)Cu(NHMes))(Li(12-C-4)2)
• Formula: C60 H106 B Cu Li N O8 P2
• Calculated formula: C60 H106 B Cu Li N O8 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)Nc1c(cc(cc1C)C)C.[Li+]123456([O]7CC[O]1CC[O]2CC[O]3CC7)[O]1CC[O]4CC[O]5CC[O]6CC1.CCCCC
• 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: 11.9146 ± 0.0009 Å
• b: 21.3858 ± 0.0016 Å
• c: 24.4619 ± 0.0018 Å
• α: 90°
• β: 92.556 ± 0.001°
• γ: 90°
• Cell volume: 6226.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.111
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.725
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No