Information card for entry 4322158

Structure parameters

• Common name: Au~3~(PhCH~2~N=COCH~3~)~3~
• Formula: C27 H30 Au3 N3 O3
• Calculated formula: C27 H30 Au3 N3 O3
• SMILES: [Au]1[N](=C(OC)[Au][N](=C(OC)[Au][N](=C1OC)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
• 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: 17.311 ± 0.006 Å
• b: 34.761 ± 0.01 Å
• c: 18.052 ± 0.006 Å
• α: 90°
• β: 94.73 ± 0.02°
• γ: 90°
• Cell volume: 10826 ± 6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections: 0.2149
• Weighted residual factors for significantly intense reflections: 0.1775
• Goodness-of-fit parameter for all reflections: 1.002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No