Information card for entry 1513659

Structure parameters

• Formula: C72 H24 Cl6 O207.75 V30
• Calculated formula: C72 H24 Cl6 O201.75 V30
• Title of publication: Organic‒inorganic hybrid polyhedra that can serve as supermolecular building blocks
• Authors of publication: Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 927
• a: 34.773 ± 0.003 Å
• b: 34.773 ± 0.003 Å
• c: 39.676 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 41547 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1954
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.2524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No