Information card for entry 1572116

Structure parameters

• Formula: C47 H70 Lu N2 O2 P
• Calculated formula: C47 H70 Lu N2 O2 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: 10.0585 ± 0.0004 Å
• b: 28.9336 ± 0.001 Å
• c: 15.5726 ± 0.0006 Å
• α: 90°
• β: 99.117 ± 0.002°
• γ: 90°
• Cell volume: 4474.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No