Information card for entry 7004380

Structure parameters

• Formula: C37 H59 Cl2 N2 O3 Y
• Calculated formula: C37 H59 Cl2 N2 O3 Y
• SMILES: [Y]1(Cl)(Cl)([O]2CCCC2)([O]2CCCC2)N(C(=CC(=[N]1c1c(cccc1)C(C)(C)C)C)C)c1c(cccc1)C(C)(C)C.O(CC)CC
• Title of publication: Syntheses, structures and reactions of a series of β-diketiminatoyttrium compounds
• Authors of publication: Wei, Xuehong; Cheng, Yanxiang; Hitchcock, Peter B.; Lappert, Michael F.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 38
• Pages of publication: 5235 - 5246
• a: 14.2932 ± 0.0002 Å
• b: 13.5936 ± 0.0001 Å
• c: 20.4397 ± 0.0003 Å
• α: 90°
• β: 94.757 ± 0.001°
• γ: 90°
• Cell volume: 3957.67 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No