Information card for entry 7708237

Structure parameters

• Formula: C56 H54 Au2 F6 N2 O6 P2 S2
• Calculated formula: C56 H54 Au2 F6 N2 O6 P2 S2
• SMILES: [Au]([n]1ccc(cc1c1[n]([Au][P](c2ccccc2)(c2ccccc2)c2ccccc2)ccc(c1)C(C)(C)C)C(C)(C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[O-]S(=O)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Intramolecular aurophilic interactions in dinuclear gold(I) complexes with twisted bridging 2,2'-bipyridine ligands.
• Authors of publication: Shmelev, Nikita Y.; Okubazghi, Tesfu H.; Abramov, Pavel A.; Komarov, Vladislav Y.; Rakhmanova, Mariana I.; Novikov, Alexander S.; Gushchin, Artem L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 36
• Pages of publication: 12448 - 12456
• a: 13.399 ± 0.003 Å
• b: 20.709 ± 0.004 Å
• c: 20.441 ± 0.004 Å
• α: 90°
• β: 90.35 ± 0.03°
• γ: 90°
• Cell volume: 5672 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No