Information card for entry 7115693

Structure parameters

• Formula: C14 H6 In N2 O8
• Calculated formula: C14 H6 In N2 O8
• Title of publication: Dynamically controlled one-pot synthesis of heterogeneous core-shell MOF single crystals using guest molecules
• Authors of publication: Lei Wang; Weiting Yang; Yangxue Li; Zhigang Xie; Wei Zhu; Zhong-Ming Sun
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11653
• a: 15.7069 ± 0.0013 Å
• b: 15.7069 ± 0.0013 Å
• c: 52.887 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11300 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.868
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No