Information card for entry 4326366

Structure parameters

• Formula: C22 H13 Au F5 N2 P S
• Calculated formula: C22 H13 Au F5 N2 P S
• SMILES: [Au](Sc1c(c(c(c(c1F)F)F)F)F)[P](c1ncccc1)(c1ncccc1)c1ccccc1
• Title of publication: Unprecedented Luminescent Heteropolynuclear Aggregates with Gold Thiolates as Building Blocks
• Authors of publication: Olga Crespo; M. Concepción Gimeno; Antonio Laguna; Fernando J. Lahoz; Carmen Larraz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9533 - 9544
• a: 8.1905 ± 0.0016 Å
• b: 12.172 ± 0.002 Å
• c: 12.592 ± 0.003 Å
• α: 62.68 ± 0.03°
• β: 75.69 ± 0.03°
• γ: 82.13 ± 0.03°
• Cell volume: 1080.3 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No