Information card for entry 7013227

Structure parameters

• Chemical name: dppcbO4
• Formula: C59 H52 O4 P4
• Calculated formula: C59 H52 O4 P4
• SMILES: P(=O)(C1C(P(=O)(c2ccccc2)c2ccccc2)C(P(=O)(c2ccccc2)c2ccccc2)C1P(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)C
• Title of publication: Regioselective versus complete chalcogen transfer reactions of the bis(bidentate) phosphine cis,trans,cis-1,2,3,4-tetrakis(diphenylphosphino)cyclobutane: full characterization of new, hemilabile ligands and their complexes with palladium(II) and platinum(II)
• Authors of publication: Thomas Stampfl; Rene Gutmann; Georg Czermak; Christoph Langes; Alexander Dumfort; Holger Kopacka; Karl-Hans Ongania; Peter Brüggeller
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 3425 - 3435
• a: 31.5748 ± 0.0003 Å
• b: 13.0352 ± 0.0001 Å
• c: 24.7531 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10188 ± 0.18 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No