Information card for entry 1549247

Structure parameters

• Formula: C33 H59 Cu F6 N3 Sb Si3
• Calculated formula: C33 H59 Cu F6 N3 Sb Si3
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Cu]12345([Si]6([N](C(C)(C)C)=C(N6C(C)(C)C)c6ccccc6)N([Si](C)(C)C)[Si](C)(C)C)[c]6([c]2([c]1([c]4([c]5([c]36C)C)C)C)C)C
• 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: 13.605 ± 0.004 Å
• b: 14.057 ± 0.004 Å
• c: 21.79 ± 0.008 Å
• α: 90°
• β: 107.833 ± 0.009°
• γ: 90°
• Cell volume: 3967 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No