Information card for entry 4322159

Structure parameters

• Common name: Ph~3~PAuC(O)NHCH~3~
• Formula: C20 H19 Au N O P
• Calculated formula: C20 H19 Au N O P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC
• Title of publication: Gold(I) Compounds without Significant Aurophilic Intermolecular Interactions: Synthesis, Structure, and Electronic Properties of Ph~3~PAuC(O)NHCH~3~ and Au~3~(PhCH~2~N=COCH~3~)~3~: Comparative Monomeric and Trimeric Analogues of the Solvoluminescent Trimer, Au~3~(CH~3~N=COCH~3~)~3~.
• Authors of publication: Alan L. Balch; Marilyn M. Olmstead; Jess C. Vickery
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3494 - 3499
• a: 8.993 ± 0.002 Å
• b: 22.583 ± 0.005 Å
• c: 8.932 ± 0.002 Å
• α: 90°
• β: 98.22 ± 0.02°
• γ: 90°
• Cell volume: 1795.4 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• 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: 0.0755
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections: 0.1072
• Weighted residual factors for significantly intense reflections: 0.0942
• Goodness-of-fit parameter for all reflections: 1.01
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No