Information card for entry 4320600

Structure parameters

• Common name: 00232a
• Chemical name: (Me2Ac-Cl)Cu(OPhtBu)
• Formula: C39 H53 Cl Cu N2 O
• Calculated formula: C39 H53 Cl Cu N2 O
• SMILES: [Cu]1(N(C(=C(Cl)C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)Oc1ccc(cc1)C(C)(C)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: 25.6875 ± 0.0018 Å
• b: 20.0203 ± 0.0013 Å
• c: 17.5872 ± 0.0011 Å
• α: 90°
• β: 125.089 ± 0.001°
• γ: 90°
• Cell volume: 7400.8 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No