Information card for entry 7241437

Structure parameters

• Formula: C43 H18 Au Cl5 F15 P
• Calculated formula: C43 H18 Au Cl5 F15 P
• SMILES: [Au](Cl)(Cl)([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.ClC(Cl)Cl
• 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: 14.723 ± 0.002 Å
• b: 12.174 ± 0.0018 Å
• c: 24.203 ± 0.004 Å
• α: 90°
• β: 99.761 ± 0.003°
• γ: 90°
• Cell volume: 4275.3 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No