Information card for entry 2017643

Structure parameters

• Chemical name: [μ-4,5-Bis(diphenylphosphino)-9,9- dimethylxanthene]bis[(trifluoroacetato)gold(I)] dichloromethane 0.58-solvate
• Formula: C43.58 H33.16 Au2 Cl1.15 F6 O5 P2
• Calculated formula: C43 H32 Au2 F6 O5 P2
• SMILES: [Au]1([Au]([P](c2cccc3C(c4cccc([P]1(c1ccccc1)c1ccccc1)c4Oc23)(C)C)(c1ccccc1)c1ccccc1)OC(=O)C(F)(F)F)OC(=O)C(F)(F)F
• Title of publication: [μ-4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene]bis[(trifluoroacetato)gold(I)] and its dichloromethane 0.58-solvate
• Authors of publication: Tunyogi, Tünde; Deák, Andrea
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m133 - m136
• a: 10.548 ± 0.003 Å
• b: 17.028 ± 0.004 Å
• c: 24.724 ± 0.007 Å
• α: 90°
• β: 100.253 ± 0.011°
• γ: 90°
• Cell volume: 4370 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• 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: 0.0451
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes