Information card for entry 7220989

Structure parameters

• Formula: C19 H28 Cl2 N2 Ti
• Calculated formula: C19 H28 Cl2 N2 Ti
• SMILES: [Ti]1234(Cl)(Cl)(Nc5c(CN(C)C)cccc5)[c]5([c]2([c]3([c]1([c]45C)C)C)C)C
• Title of publication: Mixed Amido-cyclopentadienyl Group 4 Metal Complexes
• Authors of publication: Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 24.585 ± 0.0016 Å
• b: 9.292 ± 0.0007 Å
• c: 17.769 ± 0.002 Å
• α: 90°
• β: 94.609 ± 0.007°
• γ: 90°
• Cell volume: 4046.1 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.1061
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No