Information card for entry 4325381

Structure parameters

• Chemical name: Bis(4-fluorophenylethynyl)[2-(2'-pyridyl)phenyl]gold(III) dichloromethane solvate
• Formula: C33 H30 Au O6 n
• Calculated formula: C33 H30 Au N O6
• SMILES: c12[Au](C#Cc3cc(c(c(c3)OC)OC)OC)(C#Cc3cc(c(c(c3)OC)OC)OC)[n]3c(c2cccc1)cccc3
• Title of publication: Syntheses and Photophysical Properties of Luminescent Mono-cyclometalated Gold(III) cis-Dialkynyl Complexes
• Authors of publication: Jai Anand Garg; Olivier Blacque; Koushik Venkatesan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5430 - 5441
• a: 8.1641 ± 0.0001 Å
• b: 12.4453 ± 0.0002 Å
• c: 14.3191 ± 0.0002 Å
• α: 93.756 ± 0.001°
• β: 90.607 ± 0.001°
• γ: 101.769 ± 0.001°
• Cell volume: 1420.82 ± 0.04 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0192
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No