Information card for entry 4309210

Structure parameters

• Common name: Au3[CH3(CH2)4N=COCH3]3
• Formula: C21 H42 Au3 N3 O3
• Calculated formula: C21 H42 Au3 N3 O3
• SMILES: [Au]1C(=[N]([Au]C(=[N]([Au]C(=[N]1CCCCC)OC)CCCCC)OC)CCCCC)OC
• Title of publication: Intermolecular Interactions in Polymorphs of Trinuclear Gold(I) Complexes: Insight into the Solvoluminescence of AuI3(MeNCOMe)3
• Authors of publication: Rochelle L. White-Morris; Marilyn M. Olmstead; Saeed Attar; Alan L. Balch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5021 - 5029
• a: 23.066 ± 0.012 Å
• b: 24.294 ± 0.013 Å
• c: 9.663 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5415 ± 5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1292
• Residual factor for significantly intense reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.2498
• Weighted residual factors for all reflections included in the refinement: 0.2777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No