Information card for entry 7010166

Structure parameters

• Common name: [{ZrCl2(thf)(C6H4(NSiMe2vinyl)2)}2]
• Formula: C36 H60 Cl4 N4 O2 Si4 Zr2
• Calculated formula: C36 H60 Cl4 N4 O2 Si4 Zr2
• SMILES: c12c(cccc1)N([Zr]1(N2[Si](C=C)(C)C)([O]2CCCC2)(Cl)[Cl][Zr]2(N(c3c(cccc3)N2[Si](C=C)(C)C)[Si](C=C)(C)C)([O]2CCCC2)(Cl)[Cl]1)[Si](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: 9.836 ± 0.004 Å
• b: 13.669 ± 0.004 Å
• c: 18.534 ± 0.007 Å
• α: 90°
• β: 93.9 ± 0.03°
• γ: 90°
• Cell volume: 2486.1 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0946
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections: 0.1071
• Weighted residual factors for significantly intense reflections: 0.0895
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No