Information card for entry 4323725

Structure parameters

• Formula: C9 H18 Au3 I4 N3 O3
• Calculated formula: C9 H18 Au3 I4 N3 O3
• SMILES: [Au]1(C(OC)=[N]([Au]C(OC)=[N](C)[Au](=C(OC)N1C)(I)(I))C)(I)I
• Title of publication: X-ray Crystallographic Studies of the Products of Oxidative Additions of Iodine to Cyclic Trinuclear Gold(I) Complexes: Directional Effects for Au-I...I-Au Interactions
• Authors of publication: Jess C. Vickery; Alan L. Balch
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 5978 - 5983
• a: 7.4037 ± 0.0015 Å
• b: 9.278 ± 0.002 Å
• c: 16.331 ± 0.003 Å
• α: 80.77 ± 0.03°
• β: 78.68 ± 0.03°
• γ: 81.85 ± 0.03°
• Cell volume: 1078.7 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections: 0.1391
• Weighted residual factors for significantly intense reflections: 0.1228
• Goodness-of-fit parameter for all reflections: 0.878
• Goodness-of-fit parameter for significantly intense reflections: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No