Information card for entry 7028066

Structure parameters

• Formula: C51 H44.02 Cl1.22 P2 Pt
• Calculated formula: C51 H44.24 Cl1.216 P2 Pt
• Title of publication: Generation of (η2-benzyne)bis(triphenylphosphine)platinum(>0>): orthometallation of the Pt(PPh3)2 complexes of benzyne (C6H4 ) and cyclohexyne (C6H8)
• Authors of publication: Bennett, Martin A.; Dirnberger, Thomas; Hockless, David C. R.; Wenger, Eric; Willis, Anthony C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 2
• Pages of publication: 271
• a: 10.91 ± 0.003 Å
• b: 22.913 ± 0.004 Å
• c: 16.877 ± 0.004 Å
• α: 90°
• β: 100.28 ± 0.02°
• γ: 90°
• Cell volume: 4151.2 ± 1.7 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• 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: 0.059
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No