Information card for entry 7024595

Structure parameters

• Formula: C56.5 H56 Cl2 Fe N P Ti
• Calculated formula: C56.5 H56 Cl2 Fe N P Ti
• SMILES: [Fe]12345678([c]9(P(=N[Ti]%10%11%12%13(Cl)(Cl)[cH]%14[cH]%13[cH]%12[cH]%11[cH]%10%14)(C(C)(C)C)C(C)(C)C)[cH]1[cH]2[cH]3[cH]49)[c]1([c]8([c]7([c]6([c]51c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.Cc1ccccc1
• 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: 14.3943 ± 0.0014 Å
• b: 16.997 ± 0.0017 Å
• c: 21.197 ± 0.002 Å
• α: 72.448 ± 0.001°
• β: 89.946 ± 0.001°
• γ: 81.397 ± 0.001°
• Cell volume: 4883.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1816
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No