Information card for entry 7009153

Structure parameters

• Formula: C50 H60 Cl2 O8 P4 Pt
• Calculated formula: C50 H60 Cl2 O8 P4 Pt
• SMILES: O=C(C)C.[Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1P(=O)(OCC)OCC)([P](c1ccccc1)(c1ccccc1)c1ccccc1P(=O)(OCC)OCC)(Cl)Cl.O=C(C)C
• Title of publication: Platinum(II), palladium(II) and rhodium(I) complexes of o-, m- and p-Ph2PC6H4PO(OEt)2. PtCl2‒SnCl2 Hydroformylation catalysts modified with phosphonated triarylphosphines
• Authors of publication: Dianne D. Ellis; Gayle Harrison; A. Guy Orpen; Hirihattaya Phetmung; Paul G. Pringle; Johannes G. deVries; Henk Oevering
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 671 - 675
• a: 9.2995 ± 0.001 Å
• b: 11.724 ± 0.0011 Å
• c: 13.483 ± 0.003 Å
• α: 64.608 ± 0.012°
• β: 76.108 ± 0.006°
• γ: 72.66 ± 0.007°
• Cell volume: 1256.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for all reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0449
• Goodness-of-fit parameter for all reflections: 0.999
• Goodness-of-fit parameter for significantly intense reflections: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No