Information card for entry 4116960

Structure parameters

• Formula: C22 H32 N2 O Ti
• Calculated formula: C22 H32 N2 O Ti
• SMILES: [Ti]1(N(c2c(Oc3c(N1C(C)(C)C)cccc3)cccc2)C(C)(C)C)(C)C
• Title of publication: Synthesis of Titanium and Zirconium Complexes That Contain the Tridentate Diamido Ligand, [((t-Bu-d6)N-o-C6H4)2O]2- ([NON]2-) and the Living Polymerization of 1-Hexene by Activated [NON]ZrMe2
• Authors of publication: Robert Baumann; William M. Davis; Richard R. Schrock
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 3830 - 3831
• a: 14.376 ± 0.004 Å
• b: 9.16 ± 0.004 Å
• c: 16.456 ± 0.007 Å
• α: 90°
• β: 102.04 ± 0.03°
• γ: 90°
• Cell volume: 2119.3 ± 1.4 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 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: 0.0886
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections: 0.1688
• Weighted residual factors for significantly intense reflections: 0.1482
• Goodness-of-fit parameter for all reflections: 1.182
• Goodness-of-fit parameter for significantly intense reflections: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No