Information card for entry 7711980

Structure parameters

• Chemical name: 2
• Formula: C36 H28 Au B N3 P
• Calculated formula: C36 H28 Au B N3 P
• SMILES: [Au]([N]([B]1(c2c(c3c1cccc3)cccc2)c1ccccc1)=N#N)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.2446 ± 0.0009 Å
• b: 12.5326 ± 0.0009 Å
• c: 12.8125 ± 0.0011 Å
• α: 75.113 ± 0.003°
• β: 80.036 ± 0.003°
• γ: 67.918 ± 0.002°
• Cell volume: 1467.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No