Information card for entry 7705254

Structure parameters

• Formula: C26 H33 Au B Cl F6 N6 O2 P2 W
• Calculated formula: C26 H33 Au B Cl F6 N6 O2 P2 W
• SMILES: [Au](Cl)C([W]12([n]3n(c(cc3C)C)[BH](n3[n]2c(cc3C)C)n2[n]1c(cc2C)C)(C#[O])C#[O])=P(C)(C)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Metal coordination of phosphoniocarbynes.
• Authors of publication: Onn, Chee S.; Hill, Anthony F.; Olding, Angus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 36
• Pages of publication: 12731 - 12741
• a: 12.2679 ± 0.0005 Å
• b: 24.0778 ± 0.0019 Å
• c: 24.2183 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7153.7 ± 0.7 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 10
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No