Information card for entry 2210005

Structure parameters

• Chemical name: Triphenylbenzylphosphonium trichloro(propiononitrile)platinum(II)
• Formula: C28 H27 Cl3 N P Pt
• Calculated formula: C28 H27 Cl3 N P Pt
• SMILES: [Pt](Cl)(Cl)(Cl)[N]#CCC.[P+](Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Triphenylbenzylphosphonium trichloro(propiononitrile)platinate(II)
• Authors of publication: Luzyanin, Konstantin V.; Haukka, Matti; Izotova, Yulia A.; Pombeiro, Armando J.L.; Kukushkin, Vadim Yu.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1843 - m1844
• a: 10.0016 ± 0.0002 Å
• b: 9.013 ± 0.0002 Å
• c: 30.2234 ± 0.0006 Å
• α: 90°
• β: 91.729 ± 0.0012°
• γ: 90°
• Cell volume: 2723.23 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0537
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes