Information card for entry 7116330

Structure parameters

• Formula: C96 H136 N44 O4 Zn10
• Calculated formula: C96 H129.5 N44 O4 Zn10
• Title of publication: Zn10(Im)20^.^4DBF: an unprecedented 10-nodal zeolitic topology with a 10-MR channel and 10 crystallographically independent Zn atoms
• Authors of publication: Qi Shi; Xiaozhen Kang; Fa-Nian Shi; Jinxiang Dong
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 1131
• a: 9.5161 ± 0.0002 Å
• b: 30.1575 ± 0.0005 Å
• c: 45.9367 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13183 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No