Information card for entry 4312165

Structure parameters

• Common name: ana235
• Formula: C91 H69 F18 O7 P3 Pt2 S
• Calculated formula: C91 H69 F18 O7 P3 Pt2 S
• SMILES: [Pt]1([P](C#Cc2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)[C]23[Pt](C(=C3[P]1(c1ccccc1)c1ccccc1)c1ccccc1)([OH2])([C]=2(c1c(F)c(F)c(F)c(F)c1F)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.S(=O)(=O)([O-])C(F)(F)F.C1OCCC1.C1CCCO1.C1CCOC1
• 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: 15.6604 ± 0.0001 Å
• b: 23.0236 ± 0.0002 Å
• c: 23.3432 ± 0.0002 Å
• α: 90°
• β: 94.44°
• γ: 90°
• Cell volume: 8391.34 ± 0.12 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No