Information card for entry 7711981

Structure parameters

• Chemical name: 3EDMAP
• Formula: C55 H52 Au B N2 P
• Calculated formula: C55 H52 Au B 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: 18.0377 ± 0.0005 Å
• b: 18.2628 ± 0.0005 Å
• c: 18.6944 ± 0.0005 Å
• α: 90°
• β: 118.375 ± 0.001°
• γ: 90°
• Cell volume: 5418.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0209
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No