Information card for entry 1513656

Structure parameters

• Formula: C10.5 H7.5 Cl0.75 N0.75 O17.88 V3
• Calculated formula: C10.51 H7.52 Cl0.75 N0.755 O17.88 V3
• 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: 21.1256 ± 0.0006 Å
• b: 21.1256 ± 0.0006 Å
• c: 27.4118 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12233.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.2085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.41328 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No