Information card for entry 7010169

Structure parameters

• Common name: [{Zr(NMe2)2(C6H4(NSiMe3)2)}2]
• Formula: C32 H68 N8 Si4 Zr2
• Calculated formula: C32 H68 N8 Si4 Zr2
• SMILES: c12c(cccc1)N([Zr]1(N2[Si](C)(C)C)([N]([Zr]2(N(c3c(cccc3)N2[Si](C)(C)C)[Si](C)(C)C)([N]1(C)C)N(C)C)(C)C)N(C)C)[Si](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: 25.7431 ± 0.0004 Å
• b: 10.1941 ± 0.0002 Å
• c: 18.7501 ± 0.0004 Å
• α: 90°
• β: 116.877 ± 0.001°
• γ: 90°
• Cell volume: 4389.02 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No