Information card for entry 4302877

Structure parameters

• Formula: C77 H114 Cl4 N2 O4 S2 Ti2
• Calculated formula: C77 H114 Cl4 N2 O4 S2 Ti2
• Title of publication: Synthesis, Structure, and Olefin Polymerization Activity of Titanium Complexes Bearing Asymmetric Tetradentate [OSNO]-Type Bis(phenolato) Ligands
• Authors of publication: Geert-Jan M. Meppelder; Hong-Tao Fan; Thomas P. Spaniol; Jun Okuda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7378 - 7388
• a: 9.6836 ± 0.0007 Å
• b: 25.2619 ± 0.0017 Å
• c: 16.2659 ± 0.0011 Å
• α: 90°
• β: 97.356 ± 0.002°
• γ: 90°
• Cell volume: 3946.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1004
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.1824
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No