Information card for entry 1557100

Structure parameters

• Formula: C42 H102 K N3 O12 Si6 Y
• Calculated formula: C42 H102 K N3 O12 Si6 Y
• SMILES: C[Si](C)(N([Y](N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C.[K]1234([O]5CCOCCOCCOCCOCC[O]1CC5)[O]1CC[O]4CC[O]3CC[O]2CCOCCOCC1
• Title of publication: The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions
• Authors of publication: Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 2006 - 2014
• a: 11.0774 ± 0.0007 Å
• b: 27.0905 ± 0.0018 Å
• c: 21.7959 ± 0.0014 Å
• α: 90°
• β: 104 ± 0.0009°
• γ: 90°
• Cell volume: 6346.5 ± 0.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• 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: 0.069
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No