Information card for entry 7130692

Structure parameters

• Formula: C35 H41 B F6 N8 O2 P2 S W
• Calculated formula: C35 H41 B F6 N8 O2 P2 S W
• SMILES: [W]123([S]=C3[P+](C)(c3ccccc3)c3ccccc3)([n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(C)cc1C)(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Title of publication: Thiocarbonylphosphorane and arsorane ligands.
• Authors of publication: Burt, Liam K.; Hill, Anthony F.; Jones, Stephanie L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 79
• Pages of publication: 11091 - 11094
• a: 14.171 ± 0.0002 Å
• b: 13.2958 ± 0.0001 Å
• c: 22.833 ± 0.0003 Å
• α: 90°
• β: 103.452 ± 0.001°
• γ: 90°
• Cell volume: 4184.05 ± 0.09 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No