Information card for entry 4341359

Structure parameters

• Formula: C12 H36 Ag2 Ba Cu2 I6 O6 S6
• Calculated formula: C12 H36 Ag2 Ba Cu2 I6 O6 S6
• 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: 11.6736 ± 0.0008 Å
• b: 14.0621 ± 0.0009 Å
• c: 24.527 ± 0.002 Å
• α: 90°
• β: 98.095 ± 0.007°
• γ: 90°
• Cell volume: 3986.1 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections: 0.1338
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9516
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No