Information card for entry 7114326

Structure parameters

• Common name: AuTrien
• Formula: C6 H17 Au2 Cl5 N4 O2
• Calculated formula: C6 H21 Au2 Cl5 N4 O2
• SMILES: [Au]12(Cl)[N]3([Au](Cl)(Cl)[NH2]CC3)CC[NH]2CC[NH2]1.[Cl-].[Cl-].O.O
• Title of publication: Au2trien: a dinuclear gold(iii) complex with unprecedented structural features
• Authors of publication: Messori, Luigi; Abbate, Francesco; Orioli, Pierluigi; Tempi, Caterina; Marcon, Giordana
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 612
• a: 11.504 ± 0.005 Å
• b: 11.909 ± 0.005 Å
• c: 13.031 ± 0.005 Å
• α: 90 ± 0.5°
• β: 100.2 ± 0.5°
• γ: 90 ± 0.5°
• Cell volume: 1757 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No