Information card for entry 7244873

Structure parameters

• Formula: C76 H122 Au4 Br16 N12 O13
• Calculated formula: C76 H122 Au4 Br16 N12 O13
• 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: 11.433 ± 0.003 Å
• b: 14.321 ± 0.004 Å
• c: 19.606 ± 0.006 Å
• α: 71.99 ± 0.005°
• β: 82.849 ± 0.005°
• γ: 74.244 ± 0.004°
• Cell volume: 2935.3 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2106
• Weighted residual factors for all reflections included in the refinement: 0.2383
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No