Information card for entry 7241441

Structure parameters

• Formula: C42 H17 Au F15 P
• Calculated formula: C42 H17 Au F15 P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cc(cc1c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)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: 22.855 ± 0.006 Å
• b: 18.306 ± 0.005 Å
• c: 18.508 ± 0.005 Å
• α: 90°
• β: 107.093 ± 0.005°
• γ: 90°
• Cell volume: 7401 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No