Information card for entry 1566604

Structure parameters

• Formula: C36 H48 Ca K O3 Tm
• Calculated formula: C36 H48 Ca K O3 Tm
• Title of publication: Lanthanide-mediated tuning of electronic and magnetic properties in heterotrimetallic cyclooctatetraenyl multidecker self-assemblies
• Authors of publication: Zhou, Zheng; McNeely, James; Greenough, Joshua; Wei, Zheng; Han, Haixiang; Rouzières, Mathieu; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A.
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 9.2649 ± 0.0008 Å
• b: 13.9648 ± 0.0011 Å
• c: 26.111 ± 0.002 Å
• α: 90°
• β: 90.8583 ± 0.0015°
• γ: 90°
• Cell volume: 3377.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No