Information card for entry 7712625

Structure parameters

• Formula: C14 H31 Cl3 N3 O2 Y
• Calculated formula: C14 H31 Cl3 N3 O2 Y
• 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: 7.5589 ± 0.0005 Å
• b: 13.5752 ± 0.0009 Å
• c: 20.015 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2053.8 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No