Information card for entry 4101713

Structure parameters

• Formula: C42 H58 N2 O2 Si2
• Calculated formula: C42 H58 N2 O2 Si2
• SMILES: c1(c(C(C)C)cccc1C(C)C)/N=C/c1ccc2c(c1O[Si](C)(C)C)c(c(cc2)/C=N/c1c(C(C)C)cccc1C(C)C)O[Si](C)(C)C
• Title of publication: Synthesis, characterization, and marked polymerization selectivity characteristics of binuclear phenoxyiminato organozirconium catalysts.
• Authors of publication: Salata, Michael R.; Marks, Tobin J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Journal issue: 1
• Pages of publication: 12 - 13
• a: 26.914 ± 0.006 Å
• b: 9.765 ± 0.002 Å
• c: 16.289 ± 0.004 Å
• α: 90°
• β: 109.311 ± 0.003°
• γ: 90°
• Cell volume: 4040.1 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No