Information card for entry 1513660

Structure parameters

• Formula: C88 H56 Cl6 N8 O139 V26.2
• Calculated formula: C88 H56 Cl6 N8 O139.68 V26.2
• 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: 21.1683 ± 0.0005 Å
• b: 21.1683 ± 0.0005 Å
• c: 27.3991 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12277.5 ± 0.8 ų
• Cell temperature: 396 ± 2 K
• Ambient diffraction temperature: 396 ± 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: 0.1395
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No