Information card for entry 4320603

Structure parameters

• Common name: 00113
• Chemical name: Me2AcCu(OPhMe2)
• Formula: C37 H50 Cu N2 O
• Calculated formula: C37 H50 Cu N2 O
• SMILES: [Cu]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)Oc1c(cccc1C)C
• Title of publication: Three-Coordinate Copper(II)-Phenolate Complexes
• Authors of publication: Brian A. Jazdzewski; Patrick L. Holland; Maren Pink; Victor G. Young; Douglas J. E. Spencer; William B. Tolman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6097 - 6107
• a: 9.0263 ± 0.0005 Å
• b: 20.1213 ± 0.0012 Å
• c: 18.9777 ± 0.0012 Å
• α: 90°
• β: 92.961 ± 0.001°
• γ: 90°
• Cell volume: 3442.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0738
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No