Information card for entry 7024591

Structure parameters

• Formula: C21 H36 Fe N P Si
• Calculated formula: C21 H36 Fe N P Si
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)P(=N[Si](C)(C)C)(C(C)(C)C)C(C)(C)C)[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: 10.083 ± 0.002 Å
• b: 10.733 ± 0.002 Å
• c: 41.135 ± 0.008 Å
• α: 90°
• β: 95.94 ± 0.03°
• γ: 90°
• Cell volume: 4427.8 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0903
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No