Information card for entry 7010070

Structure parameters

• Common name: [Au(CH3OCNHCH3)2][C7Cl2NO3].CHCl3
• Formula: C14 H15 Au Cl5 N3 O5
• Calculated formula: C14 H15 Au Cl5 N3 O5
• SMILES: C(NC)(OC)=[Au]=C(NC)OC.C1(=C(C(=O)C(=O)C(=C1[O-])C#N)Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Aurophilic attractions: one cation, [Au{C(OMe)NMeH}2]+, but three different structural arrangements in the solid state salts
• Authors of publication: Jiang, Feilong; Olmstead, Marilyn M.; Balch, Alan L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 4098
• a: 10.5702 ± 0.0008 Å
• b: 6.6361 ± 0.0005 Å
• c: 14.9708 ± 0.0011 Å
• α: 90°
• β: 91.221 ± 0.003°
• γ: 90°
• Cell volume: 1049.89 ± 0.14 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No