Information card for entry 7703529

Structure parameters

• Formula: C29 H30 B Cl5 N8 O2 Pt W
• Calculated formula: C29 H30 B Cl5 N8 O2 Pt W
• SMILES: [Pt]1([n]2c(c3[n]1cccc3)cccc2C#[W]12([n]3n(c(cc3C)C)[BH](n3[n]2c(C)cc3C)n2[n]1c(C)cc2C)(C#[O])C#[O])(Cl)Cl.ClC(Cl)Cl
• 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: 17.2205 ± 0.0004 Å
• b: 12.6997 ± 0.0003 Å
• c: 17.2216 ± 0.0003 Å
• α: 90°
• β: 97.909 ± 0.002°
• γ: 90°
• Cell volume: 3730.46 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No