Information card for entry 7127521

Structure parameters

• Formula: C45 H38 Au B F12 N P
• Calculated formula: C45 H38 Au B F12 N P
• Title of publication: 1,1-Phosphaboration of C[triple bond, length as m-dash]C and C[double bond, length as m-dash]C bonds at gold.
• Authors of publication: Theulier, Cyril A.; García-Rodeja, Yago; Saffon-Merceron, Nathalie; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 347 - 350
• a: 10.06 ± 0.0005 Å
• b: 12.656 ± 0.0007 Å
• c: 34.5461 ± 0.0019 Å
• α: 90°
• β: 92.8652 ± 0.0018°
• γ: 90°
• Cell volume: 4392.9 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No