Information card for entry 7028065

Structure parameters

• Chemical name: (2,2'-biphenyl)platinum(II)bis(triphenylphosphine)
• Formula: C55 H46 P2 Pt
• Calculated formula: C55 H46 P2 Pt
• SMILES: [Pt]1(c2c(cccc2)c2c1cccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)C
• 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: 12.91 ± 0.004 Å
• b: 13.077 ± 0.003 Å
• c: 14.724 ± 0.003 Å
• α: 74.05 ± 0.02°
• β: 79.12 ± 0.02°
• γ: 65.7 ± 0.02°
• Cell volume: 2170.2 ± 1 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0244
• Goodness-of-fit parameter for all reflections: 2.138
• Goodness-of-fit parameter for significantly intense reflections: 1.59
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No