Information card for entry 4120410

Structure parameters

• Common name: Moris-216 (Manab)
• Formula: C30 H45 N3 Ti
• Calculated formula: C30 H45 N3 Ti
• SMILES: [Ti](N=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C)(C)C
• Title of publication: Mono(imidazolin-2-iminato) Titanium Complexes for Ethylene Polymerization at Low Amounts of Methylaluminoxane
• Authors of publication: Dana Shoken; Manab Sharma; Mark Botoshansky; Matthias Tamm; Moris S. Eisen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 12592 - 12595
• a: 9.782 ± 0.002 Å
• b: 12.497 ± 0.002 Å
• c: 25.54 ± 0.005 Å
• α: 88.17 ± 0.02°
• β: 84.97 ± 0.02°
• γ: 80.52 ± 0.02°
• Cell volume: 3067.2 ± 1 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.169
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No