Information card for entry 1568520

Structure parameters

• Formula: C116 H156 K N4 O4 P3 Sm2
• Calculated formula: C116 H156 K N4 O4 P3 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: 31.686 ± 0.0019 Å
• b: 23.6758 ± 0.0008 Å
• c: 16.4497 ± 0.0009 Å
• α: 90°
• β: 119.805 ± 0.004°
• γ: 90°
• Cell volume: 10708.1 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.124
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No