Information card for entry 7014939

Structure parameters

• Formula: C27 H35 B Cu F4 N3
• Calculated formula: C27 H35 B Cu F4 N3
• SMILES: [Cu]12([n]3c(N(c4[n]1cccc4)c1c(cc(cc1C)C)C)cccc3)[CH](CC)=[CH]2CCCC.[B](F)(F)(F)[F-]
• Title of publication: Demonstration of remote steric differentiation of cis/trans alkene coordination in copper(I) complexes of aryl-substituted bis(2-pyridyl)amine.
• Authors of publication: Allen, John J.; Barron, Andrew R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 5
• Pages of publication: 1189 - 1194
• a: 9.943 ± 0.002 Å
• b: 21.275 ± 0.004 Å
• c: 13.874 ± 0.003 Å
• α: 90°
• β: 107.19 ± 0.03°
• γ: 90°
• Cell volume: 2803.8 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Ambient diffracton pressure: 101.33 kPa
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1712
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.2139
• Weighted residual factors for all reflections included in the refinement: 0.235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No