Information card for entry 7127722

Structure parameters

• Formula: C122 H118 Ag3 B2 N13 O7 P6 W2
• Calculated formula: C122 H118 Ag3 B2 N13 O7 P6 W2
• SMILES: [W]12([n]3n(c(cc3C)C)[BH](n3[n]2c(cc3C)C)n2[n]1c(cc2C)C)(=C=C=[C]12[Ag]34[P](C[P]([Ag]52[P](c2ccccc2)(c2ccccc2)C[P]([Ag]1([P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[C]45C#C[W]12([n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)(C#[O])C#[O])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O].O=N(=O)[O-].c1(ccccc1)C
• Title of publication: Tetrel and pnictogen functionalised propargylidynes.
• Authors of publication: Manzano, Richard A.; Hill, Anthony F.; Georgelin, Rosemary L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 93
• Pages of publication: 14597 - 14600
• a: 15.377 ± 0.0004 Å
• b: 30.6356 ± 0.0007 Å
• c: 28.8107 ± 0.0016 Å
• α: 90°
• β: 98.31 ± 0.004°
• γ: 90°
• Cell volume: 13429.7 ± 0.9 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1557
• Residual factor for significantly intense reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.2215
• Weighted residual factors for all reflections included in the refinement: 0.2481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No