Information card for entry 1568514

Structure parameters

• Formula: C55 H78 N2 O3 Sm
• Calculated formula: C55 H78 N2 O3 Sm
• 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: 13.5817 ± 0.0008 Å
• b: 14.3505 ± 0.0006 Å
• c: 13.9019 ± 0.0008 Å
• α: 90°
• β: 116.465 ± 0.004°
• γ: 90°
• Cell volume: 2425.6 ± 0.2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No