Information card for entry 4085426

Structure parameters

• Formula: C39 H56 N2 O2 Y
• Calculated formula: C39 H56 N2 O2 Y
• SMILES: [CH]12=[CH]3[Y]45671([cH]1[cH]7[cH]6[cH]4[cH]51)([O]1CCCC1)(N3c1c(C(C)C)cccc1C(C)C)(N2c1c(C(C)C)cccc1C(C)C)[O]1CCCC1
• Title of publication: Cyclopentadienyl Yttrium Ene-Diamido Complexes: Coupling of the Ene-Diamido Ligand with Isocyanate
• Authors of publication: Li, Jianfeng; Huang, Hanmin; Wang, Fengxin; Cui, Chunming
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 683
• a: 21.938 ± 0.007 Å
• b: 10.17 ± 0.003 Å
• c: 17.773 ± 0.005 Å
• α: 90°
• β: 110.049 ± 0.004°
• γ: 90°
• Cell volume: 3725 ± 1.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No