Information card for entry 4310136

Structure parameters

• Chemical name: (IPr)Cu(NHPh)
• Formula: C33 H42 Cu N3
• Calculated formula: C33 H42 Cu N3
• SMILES: [Cu](Nc1ccccc1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Cleavage of X-H Bonds (X = N, O, or C) by Copper(I) Alkyl Complexes To Form Monomeric Two-Coordinate Copper(I) Systems
• Authors of publication: Laurel A. Goj; Elizabeth D. Blue; Colleen Munro-Leighton; T. Brent Gunnoe; Jeffrey L. Petersen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8647 - 8649
• a: 11.915 ± 0.002 Å
• b: 12.453 ± 0.002 Å
• c: 20.742 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3077.6 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No