Information card for entry 4068251

Structure parameters

• Formula: C95.25 H81.5 Cl2.5 F6 O6.5 P6 Pt2 S2
• Calculated formula: C95.25 H81.5 Cl2.5 F6 O6.5 P6 Pt2 S2
• SMILES: [Pt]12([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1c3c2ccc2[Pt]4([P](CC[P]4(c4ccccc4)c4ccccc4)(c4ccccc4)c4ccccc4)[P](c(c32)c2ccccc12)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.CCOCC.C(Cl)Cl
• Title of publication: Regioselective Double Cycloplatination of 9,10-Bis(diphenylphosphino)anthracene
• Authors of publication: Hu, Jian; Yip, John H. K.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1093
• a: 15.4379 ± 0.0013 Å
• b: 19.4669 ± 0.0015 Å
• c: 33.992 ± 0.003 Å
• α: 90°
• β: 90.347 ± 0.002°
• γ: 90°
• Cell volume: 10215.4 ± 1.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• 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: 0.1399
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.2016
• Weighted residual factors for all reflections included in the refinement: 0.2356
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No