Information card for entry 4070010

Structure parameters

• Formula: C47 H75 Cu N2 P2
• Calculated formula: C47 H75 Cu N2 P2
• SMILES: [Cu]1([P](CC[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)N(/N=C/c1c(c2c(C)cc(cc2C)C)cccc1c1c(cc(cc1C)C)C)CCCC
• Title of publication: Synthesis of Bis(phosphine) and N-Heterocyclic Carbene Supported α- Diazoalkyl Complexes of Copper(I)
• Authors of publication: Iluc, Vlad M.; Laskowski, Carl A.; Hillhouse, Gregory L.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 20
• Pages of publication: 6135
• a: 14.2743 ± 0.0013 Å
• b: 15.4477 ± 0.0014 Å
• c: 21.019 ± 0.002 Å
• α: 89.591 ± 0.016°
• β: 88.795 ± 0.014°
• γ: 79.616 ± 0.002°
• Cell volume: 4557.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1104
• 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