Information card for entry 4323724

Structure parameters

• Formula: C9 H18 Au3 I2 N3 O3
• Calculated formula: C9 H18 Au3 I2 N3 O3
• SMILES: [Au]1(C(OC)=[N]([Au]C(OC)=[N](C)[Au]C(OC)=[N]1C)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: 9.309 ± 0.004 Å
• b: 13.597 ± 0.004 Å
• c: 14.899 ± 0.005 Å
• α: 90°
• β: 101.26 ± 0.03°
• γ: 90°
• Cell volume: 1849.5 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.104
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections: 0.1577
• Weighted residual factors for significantly intense reflections: 0.1305
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No