Information card for entry 7024597

Structure parameters

• Formula: C28 H48 Cl6 Fe N2 P2 Ti
• Calculated formula: C28 H48 Cl6 Fe N2 P2 Ti
• SMILES: [Fe]123456789[cH]%10[c]2([cH]4[cH]6[cH]8%10)P(C(C)(C)C)(=N[Ti](N=P([c]23[cH]1[cH]9[cH]7[cH]52)(C(C)(C)C)C(C)(C)C)(Cl)Cl)C(C)(C)C.ClCCl.C(Cl)Cl
• 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: 19.361 ± 0.004 Å
• b: 10.9 ± 0.002 Å
• c: 17.105 ± 0.003 Å
• α: 90°
• β: 98.55 ± 0.03°
• γ: 90°
• Cell volume: 3569.6 ± 1.2 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: 0.0419
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No