Information card for entry 1566601

Structure parameters

• Formula: C36 H48 Ca Er K O3
• Calculated formula: C36 H48 Ca Er K O3
• 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: 9.2555 ± 0.0007 Å
• b: 13.9514 ± 0.0011 Å
• c: 26.113 ± 0.002 Å
• α: 90°
• β: 90.709 ± 0.001°
• γ: 90°
• Cell volume: 3371.6 ± 0.4 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: 0.0495
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0542
• 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: No
• Has Fobs: No