Information card for entry 7703526

Structure parameters

• Formula: C28 H29 Au B Cl N8 O2 W
• Calculated formula: C28 H29 Au B Cl N8 O2 W
• SMILES: [Au](Cl)C(=[W]12([n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(cc1C)C)(C#[O])C#[O])c1nc(ccc1)c1ncccc1
• Title of publication: Metal coordination to bipyridyl carbynes.
• Authors of publication: Frogley, Benjamin J.; Hill, Anthony F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 3272 - 3283
• a: 10.1932 ± 0.0002 Å
• b: 15.8341 ± 0.0004 Å
• c: 18.7606 ± 0.0004 Å
• α: 90°
• β: 90.182 ± 0.002°
• γ: 90°
• Cell volume: 3027.95 ± 0.12 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 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: 0.0418
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No