Information card for entry 7109412

Structure parameters

• Formula: C67 H82 Au2 F6 N8 O6 S2
• Calculated formula: C67 H82 Au2 F6 N8 O6 S2
• SMILES: [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1n(n[n]([Au]=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)c1C(=O)OC)Cc1ccccc1.S(=O)([O-])(=NS(=O)(=O)C(F)(F)F)C(F)(F)F
• Title of publication: Gold(I) triazolyls: organometallic synthesis in air and aqueous media
• Authors of publication: James E. Heckler; Nihal Deligonul; Arnold L. Rheingold; Thomas G. Gray
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5990
• a: 12.5547 ± 0.0008 Å
• b: 16.6467 ± 0.0011 Å
• c: 18.4622 ± 0.0011 Å
• α: 84.62 ± 0.004°
• β: 72.861 ± 0.003°
• γ: 80.747 ± 0.004°
• Cell volume: 3634.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No