Information card for entry 4312354

Structure parameters

• Formula: C33 H39 Br N4 Ti
• Calculated formula: C33 H39 Br N4 Ti
• SMILES: [Ti]1(n2c(C(c3ccc(Br)cc3)c3n1c1c(c3C)cccc1)c(c1ccccc21)C)(N(CC)CC)N(CC)CC
• Title of publication: Titanium and Zirconium Amido Complexes Ligated by 2,2'-Di(3-methylindolyl)methanes: Synthesis, Characterization, and Ethylene Polymerization Activity
• Authors of publication: Mark R. Mason; Bassam N. Fneich; Kristin Kirschbaum
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6592 - 6594
• a: 16.969 ± 0.003 Å
• b: 10.417 ± 0.002 Å
• c: 18.76 ± 0.004 Å
• α: 90°
• β: 116.107 ± 0.003°
• γ: 90°
• Cell volume: 2977.8 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1033
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No