Information card for entry 7709145

Structure parameters

• Formula: C33 H37 As B Cl2 F3 N6 O5 S W
• Calculated formula: C33 H37 As B Cl2 F3 N6 O5 S W
• SMILES: [O]#C[W]12(C#[O])(#C[As](c3ccccc3)(c3ccccc3)C)[n]3n([BH](n4c(cc(C)[n]14)C)n1[n]2c(C)cc1C)c(cc3C)C.S(=O)(=O)(C(F)(F)F)[O-].ClCCl
• Title of publication: Arsinocarbyne reactivity.
• Authors of publication: Frogley, Benjamin J.; Hill, Anthony F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 1907 - 1917
• a: 7.9239 ± 0.0002 Å
• b: 19.436 ± 0.0006 Å
• c: 25.6769 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3954.5 ± 0.2 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 10
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No