Information card for entry 7051724

Structure parameters

• Formula: C29 H27 Au F3 N4 O3 P S
• Calculated formula: C29 H27 Au F3 N4 O3 P S
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)=C1N(N=NN1C)c1c(cccc1C)C.O=S(=O)([O-])C(F)(F)F
• Title of publication: Tetrazolyl and tetrazolylidene complexes of gold: a synthetic and structural study
• Authors of publication: Gabrielli, William F.; Nogai, Stefan D.; McKenzie, Jean M.; Cronje, Stephanie; Raubenheimer, Helgard G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2208
• a: 22.829 ± 0.002 Å
• b: 12.0611 ± 0.0012 Å
• c: 23.755 ± 0.002 Å
• α: 90°
• β: 112.286 ± 0.002°
• γ: 90°
• Cell volume: 6052.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1445
• Residual factor for significantly intense reflections: 0.1114
• Weighted residual factors for significantly intense reflections: 0.258
• Weighted residual factors for all reflections included in the refinement: 0.284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No