Information card for entry 7024592

Structure parameters

• Formula: C28 H42 Cl2 Fe N P Ti
• Calculated formula: C28 H42 Cl2 Fe N P Ti
• SMILES: [Fe]12345678([c]9(P(=N[Ti]%10%11%12%13(Cl)(Cl)[c]%14([c]%13([c]%12([c]%11([c]%10%14C)C)C)C)C)(C(C)(C)C)C(C)(C)C)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51
• 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: 9.1534 ± 0.0004 Å
• b: 15.9165 ± 0.0007 Å
• c: 19.941 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2905.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No