Information card for entry 7120981

Structure parameters

• Formula: C36 H44 B2 N12 O4 Te2 W2
• Calculated formula: C36 H44 B2 N12 O4 Te2 W2
• SMILES: [BH]12n3c(cc(C)[n]3[W](C#[Te][Te]#C[W]34(C#[O])([n]5n([BH](n6[n]3c(cc6C)C)n3[n]4c(cc3C)C)c(C)cc5C)C#[O])([n]3c(C)cc(n13)C)(C#[O])([n]1n2c(C)cc1C)C#[O])C
• Title of publication: Bis(alkylidynyl)tellurides and ditellurides
• Authors of publication: Frogley, Benjamin J.; Hill, Anthony F.; Manzano, Richard A.; Sharma, Manab
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 1702 - 1705
• a: 20.1187 ± 0.0004 Å
• b: 13.9835 ± 0.0003 Å
• c: 36.0701 ± 0.001 Å
• α: 90°
• β: 104.18 ± 0.002°
• γ: 90°
• Cell volume: 9838.4 ± 0.4 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No