Information card for entry 7010167

Structure parameters

• Common name: [{Zr(C6H4(NSiMe2vinyl)2)(NMe2)2}2]
• Formula: C36 H68 N8 Si4 Zr2
• Calculated formula: C36 H68 N8 Si4 Zr2
• SMILES: [Zr]12([N](C)(C)[Zr]3(N([Si](C)(C)C=C)c4ccccc4N3[Si](C)(C)C=C)([N]2(C)C)N(C)C)(N([Si](C)(C)C=C)c2ccccc2N1[Si](C)(C)C=C)N(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: 18.596 ± 0.011 Å
• b: 10.248 ± 0.004 Å
• c: 25.869 ± 0.013 Å
• α: 90°
• β: 111 ± 0.04°
• γ: 90°
• Cell volume: 4602 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.075
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections: 0.1995
• Weighted residual factors for significantly intense reflections: 0.1918
• Goodness-of-fit parameter for all reflections: 1.1
• Goodness-of-fit parameter for significantly intense reflections: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No