Information card for entry 1557091

Structure parameters

• Formula: C78 H190 K2 N6 O21 Si12 Tm2
• Calculated formula: C78 H190 K2 N6 O21 Si12 Tm2
• 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: 25.453 ± 0.003 Å
• b: 18.757 ± 0.002 Å
• c: 25.744 ± 0.003 Å
• α: 90°
• β: 103.142 ± 0.0015°
• γ: 90°
• Cell volume: 11969 ± 2 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No