Information card for entry 7000360

Structure parameters

• Formula: C54 H44 P2 Pt
• Calculated formula: C54 H44 P2 Pt
• SMILES: [P](c1ccccc1)(c1ccccc1)(c1ccccc1)[Pt](C#Cc1ccc(cc1)C)(C#Cc1ccc(cc1)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Transition metal alkynyl complexes by transmetallation from Au(CCAr)(PPh3) (Ar = C6H5 or C6H4Me-4)
• Authors of publication: Khairul, Wan M.; Fox, Mark A.; Zaitseva, Natasha N.; Gaudio, Maryka; Yufit, Dmitry S.; Skelton, Brian W.; White, Allan H.; Howard, Judith A. K.; Bruce, Michael I.; Low, Paul J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 4
• Pages of publication: 610
• a: 13.555 ± 0.0002 Å
• b: 8.5121 ± 0.0001 Å
• c: 18.0271 ± 0.0003 Å
• α: 90°
• β: 90.3 ± 0.01°
• γ: 90°
• Cell volume: 2079.97 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No