Information card for entry 4347145

Structure parameters

• Formula: C30 H78 Cl Er Li N3 O3 Si6
• Calculated formula: C30 H78 Cl Er Li N3 O3 Si6
• SMILES: [Er]([Cl][Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Elucidating the Magnetic Anisotropy and Relaxation Dynamics of Low-Coordinate Lanthanide Compounds.
• Authors of publication: Zhang, Peng; Jung, Julie; Zhang, Li; Tang, Jinkui; Le Guennic, Boris
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1905 - 1911
• a: 36.585 ± 0.002 Å
• b: 16.1129 ± 0.0009 Å
• c: 25.0947 ± 0.0014 Å
• α: 90°
• β: 131.621 ± 0.001°
• γ: 90°
• Cell volume: 11058.6 ± 1.1 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 8
• 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: 0.0785
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1926
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No