Information card for entry 7126024

Structure parameters

• Formula: C10 H17 Au Cl3 N3 O
• Calculated formula: C10 H17 Au Cl3 N3 O
• SMILES: [Au](Cl)(Cl)(Cl)[n]1c(=O)n(ccc1N)CCCCCC
• Title of publication: Synthesis, X-ray characterization and regium bonding interactions of a trichlorido(1-hexylcytosine)gold(iii) complex.
• Authors of publication: Terrón, Angel; Buils, Jordi; Mooibroek, Tiddo J.; Barceló-Oliver, Miquel; García-Raso, Angel; Fiol, Juan J.; Frontera, Antonio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 24
• Pages of publication: 3524 - 3527
• a: 7.0041 ± 0.0019 Å
• b: 15.654 ± 0.004 Å
• c: 16.326 ± 0.004 Å
• α: 90°
• β: 115.405 ± 0.008°
• γ: 90°
• Cell volume: 1616.9 ± 0.7 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• 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: 0.1145
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No