Information card for entry 1568518

Structure parameters

• Formula: C117 H164 N4 O6 P4 Sm2
• Calculated formula: C117 H164 N4 O6 P4 Sm2
• 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: 32.7745 ± 0.0007 Å
• b: 12.3366 ± 0.0003 Å
• c: 14.1237 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5710.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 50
• Hermann-Mauguin space group symbol: P b a n :2
• Hall space group symbol: -P 2ab 2b
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No