Information card for entry 7024599

Structure parameters

• Formula: C48 H76 Cl10 Fe N2 P2 Ti2
• Calculated formula: C48 H76 Cl10 Fe N2 P2 Ti2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ti]2345(N=P(C(C)(C)C)(C(C)(C)C)[c]12[Fe]3456789([c]%10(P(=N[Ti]%11%12%13%14([c]%15([c]%11([c]%12([c]%13([c]%14%15C)C)C)C)C)(Cl)Cl)(C(C)(C)C)C(C)(C)C)[cH]3[cH]5[cH]7[cH]9%10)[cH]1[cH]4[cH]6[cH]28)(Cl)Cl)C)C)C)C.C(Cl)(Cl)Cl.C(Cl)(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: 8.6321 ± 0.0017 Å
• b: 18.488 ± 0.004 Å
• c: 18.445 ± 0.004 Å
• α: 90°
• β: 102.45 ± 0.03°
• γ: 90°
• Cell volume: 2874.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0924
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No