Information card for entry 4087255

Structure parameters

• Formula: C80 H89 K2 N7 O4 S2
• Calculated formula: C76 H83 K2 N5 O4 S2
• Title of publication: Janus-Type Bis(maloNHC) and Its Zwitterionic Gold and Silver Metal Complexes
• Authors of publication: Carter, Ashley; Mason, Alexander; Baker, Michael A.; Bettler, Donald G.; Changas, Angelo; McMillen, Colin D.; Tapu, Daniela
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 9
• Pages of publication: 1867
• a: 12.3149 ± 0.001 Å
• b: 18.8123 ± 0.0016 Å
• c: 18.4296 ± 0.0016 Å
• α: 90°
• β: 109.037 ± 0.003°
• γ: 90°
• Cell volume: 4036.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0704
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No