Information card for entry 4312164

Structure parameters

• Common name: ana277
• Formula: C49 H40 O P2 Pt S2
• Calculated formula: C49 H40 O P2 Pt S2
• SMILES: c12ccccc2S[Pt]([P](C#Cc2ccccc2)(c2ccccc2)c2ccccc2)(S1)[P](C#Cc1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C
• Title of publication: Alkynyldiphenylphosphine d8 (Pt, Rh, Ir) Complexes: Contrasting Behavior toward cis-[Pt(C6F5)2(THF)2]
• Authors of publication: Jesús R. Berenguer; María Bernechea; Juan Forniés; Ana García; Elena Lalinde; M. Teresa Moreno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8185 - 8198
• a: 10.649 ± 0.0001 Å
• b: 14.827 ± 0.0001 Å
• c: 26.865 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4241.79 ± 0.07 ų
• Cell temperature: 223 ± 1 K
• Ambient diffraction temperature: 223 ± 1 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P n c a
• Hall space group symbol: -P 2a 2n
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No