Information card for entry 1572114

Structure parameters

• Formula: C34 H55 I La N2 O3 P
• Calculated formula: C34 H55 I La N2 O3 P
• Title of publication: Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings.
• Authors of publication: Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 30
• Pages of publication: 12138 - 12147
• a: 13.352 ± 0.002 Å
• b: 14.546 ± 0.003 Å
• c: 19.171 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3723.4 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0264
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No