Information card for entry 7703533

Structure parameters

• Formula: C30 H33 B Cl2 N8 O2 Pt W
• Calculated formula: C30 H33 B Cl2 N8 O2 Pt W
• SMILES: [Pt]12(Cl)(Cl)([n]3c(C#[W]45([n]6n(c(cc6C)C)[BH](n6[n]5c(C)cc6C)n5[n]4c(cc5C)C)(C#[O])C#[O])cccc3c3[n]1cccc3)[CH2]=[CH2]2
• 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: 9.5931 ± 0.0004 Å
• b: 19.9775 ± 0.0007 Å
• c: 17.8132 ± 0.0006 Å
• α: 90°
• β: 104.236 ± 0.004°
• γ: 90°
• Cell volume: 3309 ± 0.2 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: 0.0491
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No