Information card for entry 7244874

Structure parameters

• Formula: C21 H34 Au Br4 N3 O3
• Calculated formula: C21 H34 Au Br4 N3 O3
• Title of publication: Co-crystals of tetrahaloauric acid and 1,3,5-(methylacetamide)benzene-based tectons: consistent trapping of high energy molecular conformation
• Authors of publication: Shaffer, Cassandra C.; Oliver, Allen Grayson; Smith, B. D.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 12.5789 ± 0.0011 Å
• b: 17.0609 ± 0.0015 Å
• c: 13.3931 ± 0.0012 Å
• α: 90°
• β: 103.8 ± 0.002°
• γ: 90°
• Cell volume: 2791.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0373
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No