Information card for entry 7717610

Structure parameters

• Formula: C55 H68 N4 P Y
• Calculated formula: C55 H68 N4 P Y
• Title of publication: Phosphaguanidinate Yttrium Carbene, Carbyne and Carbide Complexes: Three Distinct C1 Functionalities
• Authors of publication: Zhang, Lixin; Jiang, Wen
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 15.5692 ± 0.0014 Å
• b: 18.5082 ± 0.0016 Å
• c: 16.5373 ± 0.0015 Å
• α: 90°
• β: 97.688 ± 0.004°
• γ: 90°
• Cell volume: 4722.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 172.99 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No