Information card for entry 7121049

Structure parameters

• Formula: C22 H28 P2 Pt
• Calculated formula: C22 H28 P2 Pt
• SMILES: C(#Cc1ccccc1)[Pt](C#Cc1ccccc1)([P](C)(C)C)[P](C)(C)C
• Title of publication: Multiply "trapped" ³[trans-Pt(PR₃)₂(C[triple bond, length as m-dash]CC₆H₄X)₂]* conformers in rigid media.
• Authors of publication: Marineau-Plante, Gabriel; Juvenal, Frank; Langlois, Adam; Fortin, Daniel; Soldera, Armand; Harvey, Pierre D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 976 - 979
• a: 23.4379 ± 0.0018 Å
• b: 5.7868 ± 0.0005 Å
• c: 17.474 ± 0.0013 Å
• α: 90°
• β: 111.709 ± 0.003°
• γ: 90°
• Cell volume: 2201.9 ± 0.3 ų
• Cell temperature: 172 ± 2 K
• Ambient diffraction temperature: 172 ± 2 K
• Number of distinct elements: 4
• 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: 0.0514
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No