Information card for entry 7703528

Structure parameters

• Formula: C30 H36 B2 F4 N8 O3 W
• Calculated formula: C30 H36 B2 F4 N8 O3 W
• SMILES: C(c1cccc(c2cccc[nH+]2)n1)#[W]12(C#[O])(C#[O])[n]3c(C)cc(C)n3[BH](n3c(C)cc(C)[n]13)n1c(C)cc(C)[n]21.C(C)O.[B](F)(F)(F)[F-]
• 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: 10.932 ± 0.0004 Å
• b: 12.4024 ± 0.0005 Å
• c: 13.3168 ± 0.0005 Å
• α: 91.062 ± 0.003°
• β: 106.316 ± 0.003°
• γ: 100.294 ± 0.003°
• Cell volume: 1700.4 ± 0.12 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No