Information card for entry 4122569

Structure parameters

• Formula: C21 H17 Au Br P
• Calculated formula: C21 H17 Au Br P
• SMILES: [Au](Br)C(=C=C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Axially chiral allenyl gold complexes.
• Authors of publication: Johnson, Alice; Laguna, Antonio; Gimeno, M Concepción
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 37
• Pages of publication: 12812 - 12815
• a: 7.9385 ± 0.0002 Å
• b: 10.9763 ± 0.0003 Å
• c: 11.4409 ± 0.0003 Å
• α: 97.371 ± 0.002°
• β: 99.927 ± 0.002°
• γ: 100.842 ± 0.002°
• Cell volume: 951.05 ± 0.04 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No