Information card for entry 8104525

Structure parameters

• Common name: [Au(MBOx)(PPh3)]
• Chemical name: [(2-Benzoxazolthiolato)(triphenylphosphine)gold(I)]
• Formula: C25 H19 Au N O P S
• Calculated formula: C25 H19 Au N O P S
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)Sc1oc2c(n1)cccc2
• Title of publication: Syntheses and structures of two [Au(I)PPh3]-complexes with 2-aceneoxazolethiolates as ligands
• Authors of publication: Christoph Partes; Bodach, Alexander; Fink, Lothar
• Journal of publication: Zeitschrift für Kristallographie
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 12
• Pages of publication: 709 - 714
• a: 13.42872 ± 0.000087 Å
• b: 10.97719 ± 0.000088 Å
• c: 9.00771 ± 0.000073 Å
• α: 80.9303 ± 0.00071°
• β: 112.011 ± 0.00066°
• γ: 113.876 ± 0.00065°
• Cell volume: 1125.67 ± 0.017 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor R(I) for significantly intense reflections: 0.01741
• Goodness-of-fit parameter for all reflections: 1.696
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No