Information card for entry 7110852

Structure parameters

• Formula: C33 H51 Cl N5 Si4 V
• Calculated formula: C33 H51 Cl N5 Si4 V
• SMILES: [V]12(Cl)([N]([Si](C)(C)C)=C(N1[Si](C)(C)C)c1ccccc1)([N]([Si](C)(C)C)=C(N2[Si](C)(C)C)c1ccccc1)[N]#Cc1ccccc1
• Title of publication: The N,N′-bis(trimethylsilyl)pentafluorobenzamidinate ligand: enhanced ethene oligomerisation with a neutral V(iii) bis(benzamidinate) alkyl catalyst
• Authors of publication: Brussee, Edward A. C.; Meetsma, Auke; Hessen, Bart; Teuben, Jan H.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 497
• a: 20.778 ± 0.001 Å
• b: 17.918 ± 0.001 Å
• c: 21.623 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8050.2 ± 0.7 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No