Information card for entry 7712626

Structure parameters

• Formula: C40 H80 F24 La4 N12 O30 S8
• Calculated formula: C40 H80 F24 La4 N12 O30 S8
• Title of publication: Trimethyltriazacyclohexane Coordination Chemistry of Simple Rare-Earth Metal Salts
• Authors of publication: Wedal, Justin C.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 15.371 ± 0.005 Å
• b: 15.387 ± 0.005 Å
• c: 18.158 ± 0.006 Å
• α: 90°
• β: 93.231 ± 0.005°
• γ: 90°
• Cell volume: 4288 ± 2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No