Information card for entry 4076778

Structure parameters

• Formula: C39 H69 In N6 Ti
• Calculated formula: C39 H69 In N6 Ti
• SMILES: [In]123([Ti](N1c1c(cccc1C(C)C)C(C)C)(N3c1c(cccc1C(C)C)C(C)C)(N(C)C)N(C)C)N(C(C)C)C(=[N]2C(C)C)C(C)(C)C
• Title of publication: Indium-Bridged Chelating Diamide Group IV Metal Olefin Polymerization Catalysts
• Authors of publication: Patton, Jasson T.; Bokota, Marilyn M.; Abboud, Khalil A.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 10
• Pages of publication: 2145
• a: 11.147 ± 0.001 Å
• b: 20.878 ± 0.002 Å
• c: 18.418 ± 0.002 Å
• α: 90°
• β: 102.158 ± 0.002°
• γ: 90°
• Cell volume: 4190.2 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No