Information card for entry 4001393

Structure parameters

• Formula: C30 H82.9 In5 N5 O1.45 S19 Sb6
• Calculated formula: C24.82 H58.2 In5 N3.97 O1.46 S19 Sb6
• Title of publication: Permeable Layers with Large Windows in [(CH3CH2CH2)2NH2]5In5Sb6S19·1.45 H2O: High Ion-Exchange Capacity, Size Discrimination, and Selectivity for Cs Ions
• Authors of publication: Ding, Nan; Kanatzidis, Mercouri G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 16
• Pages of publication: 3867
• a: 17.638 ± 0.004 Å
• b: 9.4889 ± 0.0019 Å
• c: 26.369 ± 0.005 Å
• α: 90°
• β: 115.47 ± 0.03°
• γ: 90°
• Cell volume: 3984.3 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No