Information card for entry 7027238

Structure parameters

• Formula: C48 H56 B2 O4 P2 Pt
• Calculated formula: C48 H56 B2 O4 P2 Pt
• SMILES: [Pt](B1Oc2c(O1)cccc2)(B1Oc2c(O1)cccc2)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Phosphine exchange reactions involving cis-[Pt(PPh3)2(Bcat)2] (cat = 1,2-O2C6H4) and the oxidative addition of 1,2-B2Cl2(NMe2)2 to Pt0
• Authors of publication: Curtis, David; Lesley, M. J. Gerald; Norman, Nicholas C.; Orpen, A. Guy; Starbuck, Jonathan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 10
• Pages of publication: 1687
• a: 16.752 ± 0.003 Å
• b: 12.174 ± 0.002 Å
• c: 22.85 ± 0.002 Å
• α: 90°
• β: 111.428 ± 0.01°
• γ: 90°
• Cell volume: 4337.9 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for all reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for all reflections: 0.987
• Goodness-of-fit parameter for significantly intense reflections: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No