Information card for entry 7244871

Structure parameters

• Formula: C18 H28 Au Cl4 N3 O3
• Calculated formula: C18 H28 Au Cl4 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: 7.0697 ± 0.0005 Å
• b: 12.8591 ± 0.0008 Å
• c: 13.3357 ± 0.0009 Å
• α: 87.564 ± 0.002°
• β: 80.1017 ± 0.0019°
• γ: 88.5666 ± 0.0019°
• Cell volume: 1193.03 ± 0.14 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: 0.0488
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No