Information card for entry 4087254

Structure parameters

• Formula: C95 H106 N4 O4
• Calculated formula: C95 H106 N4 O4
• 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: 19.3986 ± 0.0012 Å
• b: 20.1631 ± 0.0014 Å
• c: 22.2441 ± 0.0014 Å
• α: 90°
• β: 94.617 ± 0.002°
• γ: 90°
• Cell volume: 8672.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No