Information card for entry 1572113

Structure parameters

• Formula: C47 H70 N2 O2 P Y
• Calculated formula: C47 H70 N2 O2 P Y
• 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: 10.0823 ± 0.0013 Å
• b: 28.934 ± 0.004 Å
• c: 15.635 ± 0.002 Å
• α: 90°
• β: 99.158 ± 0.004°
• γ: 90°
• Cell volume: 4502.9 ± 1 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: 0.0608
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No