Information card for entry 1572109

Structure parameters

• Formula: C22 H33 N2 P
• Calculated formula: C22 H33 N2 P
• SMILES: P(CNc1cc(C)cc(C)c1)(CNc1cc(C)cc(c1)C)C(C)(C)C
• 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: 8.9968 ± 0.0003 Å
• b: 11.2118 ± 0.0004 Å
• c: 11.8 ± 0.0005 Å
• α: 97.93 ± 0.001°
• β: 103.022 ± 0.001°
• γ: 108.05 ± 0.001°
• Cell volume: 1074.49 ± 0.07 ų
• Cell temperature: 109 K
• Ambient diffraction temperature: 109 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No