Information card for entry 1568523

Structure parameters

• Formula: C116 H156 K N4 O4 P3 Y2
• Calculated formula: C116 H156 K N4 O4 P3 Y2
• Title of publication: Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction
• Authors of publication: Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W.
• Journal of publication: Chemical Science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2149 - 2158
• a: 31.5819 ± 0.0006 Å
• b: 24.1585 ± 0.0004 Å
• c: 16.5122 ± 0.0003 Å
• α: 90°
• β: 119.726 ± 0.001°
• γ: 90°
• Cell volume: 10940.5 ± 0.4 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 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: 0.0867
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.2127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No