Information card for entry 7241438

Structure parameters

• Formula: C37 H20 Au F10 P
• Calculated formula: C37 H20 Au F10 P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cc(cc1c1c(F)c(F)c(F)c(F)c1F)C)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Halogen bonding between entirely negative fluorine atoms? Evidence from the crystal packing of some gold(i) and gold(iii) complexes with extensively fluorinated m-terphenyl ligands and triphenylphosphane
• Authors of publication: Sava, Alexandru; Kegyes, Krisztina T.; Popuş, Bianca T.; Dan, Bernadette C.; Silvestru, Cristian; Raţ, Ciprian I.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 8.861 ± 0.003 Å
• b: 9.823 ± 0.004 Å
• c: 19.31 ± 0.007 Å
• α: 83.09 ± 0.006°
• β: 89.197 ± 0.007°
• γ: 77.683 ± 0.007°
• Cell volume: 1630 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No