Information card for entry 7024593

Structure parameters

• Formula: C30 H48 Fe N P Ti
• Calculated formula: C30 H48 Fe N P Ti
• SMILES: [Fe]12345678([cH]9[c]1(P(=N[Ti]1%10%11%12([c]%13([c]%11([c]%12([c]1([c]%10%13C)C)C)C)C)(C)C)(C(C)(C)C)C(C)(C)C)[cH]3[cH]8[cH]59)[cH]1[cH]4[cH]7[cH]6[cH]21
• 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: 8.4917 ± 0.0017 Å
• b: 15.639 ± 0.003 Å
• c: 22.514 ± 0.005 Å
• α: 90°
• β: 95.91 ± 0.03°
• γ: 90°
• Cell volume: 2974 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0814
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No