Information card for entry 7711982

Structure parameters

• Chemical name: 3ZDMAP
• Formula: C53 H47 Au B Cl2 N2 P
• Calculated formula: C53 H47 Au B Cl2 N2 P
• Title of publication: Probing borafluorene B-C bond insertion with gold acetylide and azide.
• Authors of publication: Li, Yijie; Shen, Yu-Hsuan; Esper, Alec M.; Tidwell, John R.; Veige, Adam S.; Martin, Caleb D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 668 - 674
• a: 12.804 ± 0.002 Å
• b: 14.327 ± 0.002 Å
• c: 14.901 ± 0.003 Å
• α: 82.115 ± 0.007°
• β: 82.921 ± 0.007°
• γ: 76.566 ± 0.007°
• Cell volume: 2621.7 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No