Information card for entry 4070009

Structure parameters

• Formula: C52 H61 Cu N4
• Calculated formula: C52 H61 Cu N4
• SMILES: [Cu](=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)C(=N#N)c1c(c2c(C)cc(cc2C)C)cccc1c1c(cc(cc1C)C)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: 20.028 ± 0.002 Å
• b: 19.667 ± 0.002 Å
• c: 22.925 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9029.9 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No