Information card for entry 7024594

Structure parameters

• Formula: C51 H56 Fe N P Si
• Calculated formula: C51 H56 Fe N P Si
• SMILES: [Fe]12345678([c]9(P(=N[Si](C)(C)C)(C(C)(C)C)C(C)(C)C)[cH]1[cH]2[cH]3[cH]49)[c]1([c]5([c]6([c]7([c]81c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• 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: 18.467 ± 0.004 Å
• b: 12.868 ± 0.003 Å
• c: 20.237 ± 0.004 Å
• α: 90°
• β: 115.06 ± 0.03°
• γ: 90°
• Cell volume: 4356.3 ± 1.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1493
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No