Information card for entry 7031438

Structure parameters

• Formula: C34 H38 Cl2 Cu N2 O
• Calculated formula: C34 H38 Cl2 Cu N2 O
• SMILES: [Cu]1(Cl)(Cl)[N](=C2C(=[N]1c1c(cc(cc1C)C)C)c1c3c2cccc3ccc1)c1c(cc(cc1C)C)C.O(CC)CC
• Title of publication: Copper(ii) complexes of bis(aryl-imino)acenaphthene ligands: synthesis, structure, DFT studies and evaluation in reverse ATRP of styrene.
• Authors of publication: Fliedel, Christophe; Rosa, Vitor; Santos, Carla I. M.; Gonzalez, Pablo J.; Almeida, Rui M.; Gomes, Clara S. B.; Gomes, Pedro T.; Lemos, M Amélia N D A; Aullón, Gabriel; Welter, Richard; Avilés, Teresa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 13041
• a: 17.015 ± 0.003 Å
• b: 16.611 ± 0.004 Å
• c: 22.891 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6470 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.135
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2144
• Weighted residual factors for all reflections included in the refinement: 0.239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No