Information card for entry 4088848

Structure parameters

• Formula: C39 H28 Cl4 Cu F3 N2 O3 S
• Calculated formula: C39 H28 Cl4 Cu F3 N2 O3 S
• SMILES: [Cu]12([N](=C(C(=[N]1c1cccc3cccc(c13)c1cc(Cl)cc(Cl)c1)C)C)c1cccc3cccc(c13)c1cc(Cl)cc(Cl)c1)[CH2]=[CH2]2.S(=O)(=O)(C(F)(F)F)[O-]
• Title of publication: Synthesis and Properties of "Sandwich" Diimine-Coinage Metal Ethylene Complexes.
• Authors of publication: Klimovica, Kristine; Kirschbaum, Kristin; Daugulis, Olafs
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 17
• Pages of publication: 2938 - 2943
• a: 11.7606 ± 0.0006 Å
• b: 12.1587 ± 0.0006 Å
• c: 12.8938 ± 0.0007 Å
• α: 85 ± 0.003°
• β: 88.881 ± 0.003°
• γ: 87.642 ± 0.003°
• Cell volume: 1834.92 ± 0.16 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No