Information card for entry 7128663

Structure parameters

• Formula: C47 H49 B Br Cl3 N7 O2 P Pt W
• Calculated formula: C47 H49 B Br Cl3 N7 O2 P Pt W
• SMILES: [Pt](Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(=C=[W]12([n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(C)cc1C)(C#[O])C#[O])C#[N]c1c(C)cc(C)cc1C.ClC(Cl)Cl
• 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: 9.5314 ± 0.0003 Å
• b: 16.2298 ± 0.0005 Å
• c: 16.303 ± 0.0005 Å
• α: 91.074 ± 0.002°
• β: 103.031 ± 0.002°
• γ: 93.835 ± 0.002°
• Cell volume: 2450.02 ± 0.13 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: 0.0391
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No