Information card for entry 1549246

Structure parameters

• Formula: C40 H56 Cl2 Cu F6 N2 Sb
• Calculated formula: C40 H56 Cl2 Cu F6 N2 Sb
• SMILES: [Sb](F)(F)(F)(F)([F-])F.[Cu]12(=C3N(c4c(C(C)C)cccc4C(C)C)C=CN3c3c(cccc3C(C)C)C(C)C)[C]3(=[C]1(C(=C(C(=[C]23C)C)C)C)C)C.ClCCl
• Title of publication: Taming a monomeric [Cu(η⁶-C₆H₆)]⁺ complex with silylene.
• Authors of publication: Parvin, Nasrina; Pal, Shiv; Echeverría, Jorge; Alvarez, Santiago; Khan, Shabana
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 18
• Pages of publication: 4333 - 4337
• a: 10.506 ± 0.005 Å
• b: 20.813 ± 0.009 Å
• c: 20.435 ± 0.009 Å
• α: 90°
• β: 104.638 ± 0.01°
• γ: 90°
• Cell volume: 4323 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.125
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No