Information card for entry 7010168

Structure parameters

• Common name: [{C6H4(NSiMe3)2}ZrCl2(Me2NCH2CH2NMe2)]
• Formula: C18 H38 Cl2 N4 Si2 Zr
• Calculated formula: C18 H38 Cl2 N4 Si2 Zr
• SMILES: [Zr]12(Cl)(Cl)(N([Si](C)(C)C)c3c(N1[Si](C)(C)C)cccc3)[N](CC[N]2(C)C)(C)C
• Title of publication: Synthesis, structures and catalytic properties of chelating N,N '-bis(silylated) 1,2-benzenediamidozirconium(IV) chlorides [and a titanium(IV) analogue] and dimethylamides †
• Authors of publication: Danièle, Stephane; Hitchcock, Peter B.; Lappert, Michael F.; Merle, Philippe G.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 1
• Pages of publication: 13
• a: 30.39 ± 0.02 Å
• b: 18.203 ± 0.005 Å
• c: 14.315 ± 0.005 Å
• α: 90°
• β: 102.52 ± 0.04°
• γ: 90°
• Cell volume: 7731 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No