Information card for entry 7128666

Structure parameters

• Formula: C64 H62 B Cl3 F6 N7 O2 P3 Pt W
• Calculated formula: C64 H62 B Cl3 F6 N7 O2 P3 Pt W
• SMILES: [Pt]1(=C([W]231([n]1n(c(cc1C)C)[BH](n1[n]2c(C)cc1C)n1[n]3c(C)cc1C)(C#[O])C#[O])C#[N]c1c(C)cccc1C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClC(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Construction of an iminoketenylidene.
• Authors of publication: Burt, Liam K.; Hill, Anthony F.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 68
• Pages of publication: 8480 - 8483
• a: 11.8143 ± 0.0003 Å
• b: 14.7029 ± 0.0004 Å
• c: 22.6429 ± 0.0008 Å
• α: 100.17 ± 0.003°
• β: 103.965 ± 0.003°
• γ: 107.433 ± 0.002°
• Cell volume: 3507.6 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No