Information card for entry 4323726

Structure parameters

• Formula: C10 H20 Au3 Cl2 I6 N3 O3
• Calculated formula: C10 H20 Au3 Cl2 I6 N3 O3
• SMILES: [Au]1(C(=[N]([Au](C(OC)=[N]([Au](C(OC)=[N]1C)(I)I)C)(I)I)C)OC)(I)I.ClCCl
• 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: 14.762 ± 0.004 Å
• b: 8.723 ± 0.003 Å
• c: 22.278 ± 0.006 Å
• α: 90°
• β: 91.58 ± 0.02°
• γ: 90°
• Cell volume: 2867.6 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.0967
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections: 0.1365
• Weighted residual factors for significantly intense reflections: 0.1136
• Goodness-of-fit parameter for all reflections: 1.029
• Goodness-of-fit parameter for significantly intense reflections: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No