Information card for entry 7712624

Structure parameters

• Formula: C13 H29 I3 La N3 O
• Calculated formula: C13 H29 I3 La N3 O
• SMILES: [La]12(I)(I)(I)([O]3CCCC3)[N]3(CC[N]1(C)CC[N]2(C)CC3)C
• 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: 16.0712 ± 0.0013 Å
• b: 10.0909 ± 0.0008 Å
• c: 13.2624 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2150.8 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No