Information card for entry 4068183

Structure parameters

• Common name: [PhB(3-C2F5Pz)3]CuC2H4
• Formula: C23 H15 B Cu F15 N6
• Calculated formula: C23 H15 B Cu F15 N6
• SMILES: [Cu]12([n]3n([B](n4[n]1c(cc4)C(C(F)(F)F)(F)F)(n1nc(cc1)C(C(F)(F)F)(F)F)c1ccccc1)ccc3C(C(F)(F)F)(F)F)[CH2]=[CH2]2
• Title of publication: Structurally Similar, Thermally Stable Copper(I), Silver(I), and Gold(I) Ethylene Complexes Supported by a Fluorinated Scorpionate
• Authors of publication: Dias, H. V. Rasika; Wu, Jiang
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 1511
• a: 11.052 ± 0.003 Å
• b: 12.721 ± 0.003 Å
• c: 19.714 ± 0.005 Å
• α: 90°
• β: 91.96 ± 0.003°
• γ: 90°
• Cell volume: 2770 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0611
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No