Information card for entry 4085722

Structure parameters

• Formula: C73 H87 Fe N2 O2 P2 Si Y
• Calculated formula: C73 H87 Fe N2 O2 P2 Si Y
• SMILES: [Y]123([N]([c]45[cH]6[Fe]789%10%11%124([c]4([N]1=P(c1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)(c1ccccc1)c1ccccc1)[cH]7[cH]8[cH]9[cH]%104)[cH]5[cH]%11[cH]6%12)=P(c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)(c1ccccc1)c1ccccc1)C[Si](C)(C)C.Cc1ccccc1
• Title of publication: Yttrium-Alkyl Complexes Supported by a Ferrocene-Based Phosphinimine Ligand
• Authors of publication: Brosmer, Jonathan L.; Diaconescu, Paula L.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2567
• a: 13.461 ± 0.005 Å
• b: 14.486 ± 0.006 Å
• c: 20.937 ± 0.008 Å
• α: 92.576 ± 0.005°
• β: 102.38 ± 0.005°
• γ: 110.943 ± 0.004°
• Cell volume: 3691 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No