Information card for entry 7128785

Structure parameters

• Formula: C30 H31 As B N7 O2 W
• Calculated formula: C30 H31 As B N7 O2 W
• SMILES: [W]12([n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)(=C=[As]1c2c(Nc3ccccc13)cccc2)(C#[O])C#[O]
• Title of publication: Heterocyclic arsinocarbynes via tandem transmetallation.
• Authors of publication: Frogley, Benjamin J.; Hill, Anthony F.; Kirk, Ryan M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 70
• Pages of publication: 8770 - 8773
• a: 10.5457 ± 0.0003 Å
• b: 10.9949 ± 0.0003 Å
• c: 14.6439 ± 0.0004 Å
• α: 98.025 ± 0.003°
• β: 95.841 ± 0.002°
• γ: 115.1 ± 0.003°
• Cell volume: 1497.81 ± 0.08 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No