Information card for entry 7240459

Structure parameters

• Formula: C22 H36 Au I2 N3 S6
• Calculated formula: C22 H36 Au I2 N3 S6
• Title of publication: Halogen bonded metal bis(dithiolene) 2D frameworks
• Authors of publication: Hachem, Hadi; Jeannin, olivier; Fourmigue, Marc; Barriere, Frederic; Lorcy, Dominique
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 11.1817 ± 0.0005 Å
• b: 13.2215 ± 0.0005 Å
• c: 11.5412 ± 0.0004 Å
• α: 90°
• β: 91.649 ± 0.002°
• γ: 90°
• Cell volume: 1705.53 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No