Information card for entry 2206520

Structure parameters

• Chemical name: trans-(Isothiocyanato-κN)phenylbis(triphenylphosphine-κP)platinum(II)
• Formula: C43 H35 N P2 Pt S
• Calculated formula: C43 H35 N P2 Pt S
• SMILES: c1(ccccc1)[Pt](N=C=S)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: <i>trans</i>-(Isothiocyanato-κ<i>N</i>)phenylbis(triphenylphosphine-κ<i>P</i>)platinum(II)
• Authors of publication: Otto, Stefanus; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1545 - m1547
• a: 25.317 ± 0.005 Å
• b: 13.762 ± 0.003 Å
• c: 11.542 ± 0.002 Å
• α: 90°
• β: 114.26 ± 0.03°
• γ: 90°
• Cell volume: 3666.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0983
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No