Information card for entry 7029256

Structure parameters

• Formula: C60 H64 Au Cl2 F3 N2 O3 P2 S
• Calculated formula: C60 H64 Au Cl2 F3 N2 O3 P2 S
• SMILES: [Au]([P](c1ccccc1P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.S(=O)(=O)([O-])C(F)(F)F.ClCCCl
• Title of publication: Three-coordinate gold(I) N-heterocyclic carbene complexes: a new class of strongly luminescent derivatives.
• Authors of publication: Visbal, Renso; López-de-Luzuriaga, José M; Laguna, Antonio; Gimeno, M Concepción
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 1
• Pages of publication: 328 - 334
• a: 11.3839 ± 0.0002 Å
• b: 12.7921 ± 0.0002 Å
• c: 20.0475 ± 0.0003 Å
• α: 81.878 ± 0.002°
• β: 76.444 ± 0.002°
• γ: 89.88 ± 0.002°
• Cell volume: 2808.14 ± 0.08 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No