Information card for entry 4065483

Structure parameters

• Formula: C65 H83 Au2 Cl6 F6 N4 Sb
• Calculated formula: C65 H83 Au2 Cl6 F6 N4 Sb
• SMILES: [Au]1([C](#[C]1c1ccccc1)[Au]=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[Sb](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Cationic Gold(I) π-Complexes of Terminal Alkynes and Their Conversion to Dinuclear σ,π-Acetylide Complexes
• Authors of publication: Brown, Timothy J.; Widenhoefer, Ross A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 6003
• a: 16.174 ± 0.003 Å
• b: 24.915 ± 0.005 Å
• c: 22.264 ± 0.004 Å
• α: 90°
• β: 127.483 ± 0.012°
• γ: 90°
• Cell volume: 7119 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No