Information card for entry 7128665

Structure parameters

• Formula: C89 H83 B2 Cl6 N7 O2 P2 Pt W
• Calculated formula: C89 H83 B2 Cl6 N7 O2 P2 Pt W
• SMILES: [Pt]1(=C([W]231([n]1n([BH](n4[n]2c(cc4C)C)n2[n]3c(C)cc2C)c(cc1C)C)(C#[O])C#[O])C#[N]c1c(C)cccc1C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClC(Cl)Cl.ClC(Cl)Cl.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 20.9875 ± 0.0003 Å
• b: 15.7357 ± 0.0002 Å
• c: 26.1799 ± 0.0005 Å
• α: 90°
• β: 105.436 ± 0.002°
• γ: 90°
• Cell volume: 8334.1 ± 0.2 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No