Information card for entry 1572828

Structure parameters

• Chemical name: Zr6-phenylphosphinate
• Formula: C73 H78 Cl2 O32 P12 Zr6
• Calculated formula: C72.7 H77.4 Cl1.4 O32 P12 Zr6
• 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: 14.4003 ± 0.0003 Å
• b: 15.2252 ± 0.0004 Å
• c: 24.9863 ± 0.0006 Å
• α: 89.897 ± 0.002°
• β: 80.487 ± 0.002°
• γ: 64.685 ± 0.002°
• Cell volume: 4869.4 ± 0.2 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: 0.0972
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2444
• Weighted residual factors for all reflections included in the refinement: 0.257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No