Information card for entry 1572111

Structure parameters

• Formula: C34 H55 I N2 O3 P Y
• Calculated formula: C34 H55 I N2 O3 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: 13.453 ± 0.009 Å
• b: 14.372 ± 0.015 Å
• c: 19.53 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3776 ± 7 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: 0.0407
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No