Information card for entry 7024598

Structure parameters

• Formula: C26 H44 Cl6 Fe N2 P2 Ti2
• Calculated formula: C26 H44 Cl6 Fe N2 P2 Ti2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)P(C(C)(C)C)(=N[Ti](Cl)(Cl)Cl)C(C)(C)C)P(C(C)(C)C)(=N[Ti](Cl)(Cl)Cl)C(C)(C)C
• Title of publication: Titanium ferrocenyl-phosphinimide complexes.
• Authors of publication: Ramos, Alberto; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 1328 - 1338
• a: 26.615 ± 0.005 Å
• b: 9.6625 ± 0.0019 Å
• c: 14.696 ± 0.003 Å
• α: 90°
• β: 105.29 ± 0.03°
• γ: 90°
• Cell volume: 3645.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No