Information card for entry 4320601

Structure parameters

• Common name: 00216
• Chemical name: (Me2Ac-Cl)CuCl * CH2Cl2
• Formula: C30 H42 Cl4 Cu N2
• Calculated formula: C30 H42 Cl4 Cu N2
• 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)Cl.ClCCl
• 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: 17.189 ± 0.003 Å
• b: 18.347 ± 0.004 Å
• c: 20.988 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6619 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0921
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No