Information card for entry 7000616

Structure parameters

• Formula: C28 H46 Cl2 N O P Ti
• Calculated formula: C28 H46 Cl2 N O P Ti
• SMILES: [Ti]1234(Cl)(Cl)(N=P(C(C)(C)C)(C(C)(C)C)CCCOCc5ccccc5)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Phosphinimide complexes with pendant hemilabile donors: synthesis, structure and ethylene polymerization activity
• Authors of publication: Yadav, Krishan; McCahill, Jenny S. J.; Bai, Guangcai; Stephan, Douglas W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1636 - 1643
• a: 10.6707 ± 0.0012 Å
• b: 11.1671 ± 0.0012 Å
• c: 25.817 ± 0.003 Å
• α: 90°
• β: 94.268 ± 0.001°
• γ: 90°
• Cell volume: 3067.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.1104
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No