Information card for entry 7000973

Structure parameters

• Formula: C52 H80 Au2 Cl2 N16 O6 S12
• Calculated formula: C52 H80 Au2 Cl2 N16 O6 S12
• Title of publication: Stabilization of gold(I) and gold(III) complexes by pyridil bis{3-hexamethylene-iminylthiosemicarbazone}: spectroscopic, structural and computational study
• Authors of publication: Castiñeiras, Alfonso; Dehnen, Stefanie; Fuchs, Andreas; García-Santos, Isabel; Sevillano, Paloma
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 15
• Pages of publication: 2731 - 2739
• a: 14.8119 ± 0.0014 Å
• b: 14.8119 ± 0.0014 Å
• c: 32.741 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7183.1 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 97
• Hermann-Mauguin space group symbol: I 4 2 2
• Hall space group symbol: I 4 2
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No