Information card for entry 7004385

Structure parameters

• Formula: C114 H174 Cl4 K2 N6 O6 Y2
• Calculated formula: C114 H174 Cl4 K2 N6 O6 Y2
• SMILES: [K+].[Y]1([N](=CC(=CN1c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1c(cccc1C(C)C)C(C)C)(Nc1c(cccc1C(C)C)C(C)C)([O]1CCCC1)(Cl)Cl.O(CC)CC.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: 12.949 ± 0.0001 Å
• b: 14.4721 ± 0.0002 Å
• c: 17.0897 ± 0.0002 Å
• α: 70.257 ± 0.001°
• β: 73.489 ± 0.001°
• γ: 81.903 ± 0.001°
• Cell volume: 2886.47 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No