Information card for entry 4309211

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]1[N](=C([Au][N](=C([Au][N](=C1OC)CCCCC)OC)CCCCC)OC)CCCCC
• 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: 14.9537 ± 0.0012 Å
• b: 18.6091 ± 0.0015 Å
• c: 21.0647 ± 0.0017 Å
• α: 109.237 ± 0.006°
• β: 90.151 ± 0.004°
• γ: 104.539 ± 0.005°
• Cell volume: 5333.8 ± 0.8 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No