Information card for entry 7241436

Structure parameters

• Formula: C36 H15 Au F13 P
• Calculated formula: C36 H15 Au F13 P
• 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: 13.8553 ± 0.0013 Å
• b: 14.7279 ± 0.0014 Å
• c: 17.3368 ± 0.0016 Å
• α: 77.107 ± 0.002°
• β: 69.802 ± 0.002°
• γ: 85.275 ± 0.002°
• Cell volume: 3236.4 ± 0.5 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: 0.0523
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No