Information card for entry 7132795

Structure parameters

• Common name: Thesis - Compound A.14 - CO19a
• Chemical name: CO19a
• Formula: C21 H30 Au B Cl6 N6 O2 S Te W
• Calculated formula: C21 H30 Au B Cl6 N6 O2 S Te W
• SMILES: [Au]1([W]23([n]4n(c(cc4C)C)[BH](n4[n]2c(cc4C)C)n2[n]3c(cc2C)C)(=C1[Te](Cl)(Cl)(Cl)Cl)(C#[O])C#[O])[S](C)C.ClCCl
• Title of publication: Carbon-chalcogen wires: alkynyltellurolatocarbynes.
• Authors of publication: Onn, Chee S.; Hill, Anthony F.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 26
• Pages of publication: 3555 - 3558
• a: 11.1523 ± 0.0004 Å
• b: 11.161 ± 0.0005 Å
• c: 14.3505 ± 0.0006 Å
• α: 89.093 ± 0.004°
• β: 89.186 ± 0.003°
• γ: 77.275 ± 0.003°
• Cell volume: 1742.02 ± 0.13 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No