Information card for entry 4341355

Structure parameters

• Formula: C26 H78 Ag7 Ba2 I11 O13 S13
• Calculated formula: C26 H78 Ag7 Ba2 I11 O13 S13
• Title of publication: Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?
• Authors of publication: Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 11721 - 11731
• a: 16.2737 ± 0.0006 Å
• b: 25.412 ± 0.001 Å
• c: 21.1218 ± 0.0008 Å
• α: 90°
• β: 92.8 ± 0.003°
• γ: 90°
• Cell volume: 8724.4 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0079
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No