Information card for entry 4070008

Structure parameters

• Formula: C43 H65 Cu N2 P2
• Calculated formula: C43 H65 Cu N2 P2
• SMILES: C([Cu]1[P](CC[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(=N#N)c1c(c2c(cc(cc2C)C)C)cccc1c1c(C)cc(cc1C)C
• 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: 11.6164 ± 0.0011 Å
• b: 23.1309 ± 0.0018 Å
• c: 15.7014 ± 0.0011 Å
• α: 90°
• β: 101.921 ± 0.001°
• γ: 90°
• Cell volume: 4127.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No