Information card for entry 1513657

Structure parameters

• Formula: C21 H18 Cl1.5 N1.5 O24 V6
• Calculated formula: C21 H18 Cl1.5 N1.5 O24 V6
• 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: 21.0482 ± 0.0014 Å
• b: 21.0482 ± 0.0014 Å
• c: 21.648 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9590.6 ± 1.6 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.1681
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2089
• Weighted residual factors for all reflections included in the refinement: 0.2371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No