Information card for entry 4074499

Structure parameters

• Formula: C30 H40 N4 Ti
• Calculated formula: C30 H40 N4 Ti
• SMILES: [Ti](n1cccc1c1c(C)cc(C)cc1C)(n1cccc1c1c(C)cc(C)cc1C)(N(C)C)N(C)C
• Title of publication: Synthesis, Structure, and Hydroamination Kinetics of (2,2‘-Diaryldipyrrolylmethane)- and Bis(2-arylpyrrolyl)titanium Complexes
• Authors of publication: Swartz, Douglas L.; Odom, Aaron L.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 26
• Pages of publication: 6125
• a: 7.7446 ± 0.0011 Å
• b: 12.2148 ± 0.0017 Å
• c: 16.177 ± 0.002 Å
• α: 74.266 ± 0.003°
• β: 82.985 ± 0.003°
• γ: 72.952 ± 0.003°
• Cell volume: 1406.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0989
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No