Information card for entry 7118875

Structure parameters

• Chemical name: [1,4-C6H4{PPh2(AuCl)}2]
• Formula: C30 H24 Au2 Cl2 P2
• Calculated formula: C30 H24 Au2 Cl2 P2
• SMILES: c1(ccccc1)[P](c1ccccc1)([Au]Cl)c1ccc([P](c2ccccc2)(c2ccccc2)[Au]Cl)cc1
• Title of publication: Aurophilicity under pressure: a combined crystallographic and in situ spectroscopic study.
• Authors of publication: O'Connor, Alice E; Mirzadeh, Nedaossadat; Bhargava, Suresh K.; Easun, Timothy L.; Schröder, Martin; Blake, Alexander J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 41
• Pages of publication: 6769 - 6772
• a: 17.4201 ± 0.0003 Å
• b: 13.4798 ± 0.00019 Å
• c: 12.0817 ± 0.0002 Å
• α: 90°
• β: 102.537 ± 0.0017°
• γ: 90°
• Cell volume: 2769.37 ± 0.08 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293 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: 0.0318
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No