Information card for entry 7241440

Structure parameters

• Formula: C37 H20 Au Cl2 F10 P
• Calculated formula: C37 H20 Au Cl2 F10 P
• SMILES: [Au](Cl)(Cl)([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: 29.979 ± 0.005 Å
• b: 29.979 ± 0.005 Å
• c: 23.525 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18310 ± 8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No