Information card for entry 4085427

Structure parameters

• Formula: C73 H107 N4 O6 Y
• Calculated formula: C73 H107 N4 O6 Y
• SMILES: O1[Y]2345(O/C(=N\c6c(C(C)C)cccc6C(C)C)N(c6c(C(C)C)cccc6C(C)C)C(/C=N/c6c(C(C)C)cccc6C(C)C)/C1=N/c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)([O]1CCCC1)[cH]1[cH]2[cH]3[cH]4[cH]51.O1CCCC1.O1CCCC1
• 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: 11.859 ± 0.005 Å
• b: 15.809 ± 0.007 Å
• c: 19.598 ± 0.008 Å
• α: 108.427 ± 0.007°
• β: 98.172 ± 0.004°
• γ: 90.564 ± 0.007°
• Cell volume: 3445 ± 3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No