Information card for entry 7128664

Structure parameters

• Formula: C41 H46 B Br Cl3 N8 O2 Pt W
• Calculated formula: C38 H45 B Br N8 O2 Pt W
• SMILES: [Pt](Br)(=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)C#[N]c1c(C)cc(C)cc1C
• 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: 20.9197 ± 0.0003 Å
• b: 13.80583 ± 0.00017 Å
• c: 34.4091 ± 0.0006 Å
• α: 90°
• β: 90.7607 ± 0.0014°
• γ: 90°
• Cell volume: 9936.9 ± 0.3 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No