Information card for entry 1564543

Structure parameters

• Formula: C55 H47 Cl4 P3 Pt
• Calculated formula: C55 H47 Cl4 P3 Pt
• SMILES: C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Pt](Cl)(Cl)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• Title of publication: Crystal Structure of [Dihydrido-hexaphenylcarbodiphosphoran][chlorid][trichlorido-triphenylphosphino-platinat]
• Authors of publication: PETZ, Wolfgang; NEUMÜLLER, Bernhard
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2021
• Journal volume: 37
• Journal issue: 0
• Pages of publication: 33 - 34
• a: 38.858 ± 0.003 Å
• b: 10.851 ± 0.001 Å
• c: 27.666 ± 0.002 Å
• α: 90°
• β: 109.07 ± 0.01°
• γ: 90°
• Cell volume: 11025.1 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2203
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 0.632
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No