Information card for entry 1572827

Structure parameters

• Chemical name: Hf6-phenylphosphinate
• Formula: C73.45 H78.9 Cl2.9 Hf6 O32 P12
• Calculated formula: C72.2 H76.4 Cl0.4 Hf6 O32 P12
• Title of publication: Atomically precise surface chemistry of zirconium and hafnium metal oxo clusters beyond carboxylate ligands
• Authors of publication: Unniram Parambil, Ajmal Roshan; Pokratath, Rohan; Parammal, Muhammed Jibin; Dhaene, Evert; Van den Eynden, Dietger; Balog, Sandor; Prescimone, Alessandro; Infante, Ivan; Shahgaldian, Patrick; De Roo, Jonathan
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 14.3934 ± 0.0003 Å
• b: 15.1871 ± 0.0003 Å
• c: 24.943 ± 0.0005 Å
• α: 89.932 ± 0.002°
• β: 99.74 ± 0.002°
• γ: 115.133 ± 0.002°
• Cell volume: 4849.75 ± 0.19 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2276
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No