Information card for entry 4066691

Structure parameters

• Formula: C28 H38 Cl3 F6 N2 Sb
• Calculated formula: C28 H38 Cl3 F6 N2 Sb
• SMILES: Clc1n(cc[n+]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[Sb](F)(F)(F)([F-])(F)F.C(Cl)Cl
• Title of publication: Unexpected C(carbene)-X (X: I, Br, Cl) Reductive Elimination From N-Heterocyclic Carbene Copper Halide Complexes Under Oxidative Conditions.
• Authors of publication: Lin, Bo-Lin; Kang, Peng; Stack, T Daniel P
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 17
• Pages of publication: 3683 - 3685
• a: 10.3722 ± 0.0001 Å
• b: 11.1818 ± 0.0001 Å
• c: 16.0498 ± 0.0002 Å
• α: 77.68 ± 0.001°
• β: 75.882 ± 0.001°
• γ: 66.338 ± 0.001°
• Cell volume: 1639.43 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No