Information card for entry 7710642

Structure parameters

• Formula: C51 H41 N O36 P2 Zr6
• Calculated formula: C51 H41 N O36 P2 Zr6
• Title of publication: Two-Dimensional Metal–Organic Layers Constructed from Hf6/Hf12-oxo Clusters and Trigonal Pyramidal Phosphine Oxide Ligand
• Authors of publication: Chen, Jiawei; Ye, Zhi; Chen, Peican; Hu, Huihui; Zhang, Shuhong; Xu, Han; Cao, Lingyun; Wang, Cheng
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 21.8571 ± 0.0003 Å
• b: 17.8537 ± 0.0002 Å
• c: 26.4192 ± 0.0006 Å
• α: 90°
• β: 114.129 ± 0.002°
• γ: 90°
• Cell volume: 9408.8 ± 0.3 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0655
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No