Information card for entry 7013226

Structure parameters

• Chemical name: 2,3-trans-dppcbS2
• Formula: C52 H44 P4 S2
• Calculated formula: C52 H44 P4 S2
• SMILES: P([C@H]1[C@@H](P(=S)(c2ccccc2)c2ccccc2)[C@H](P(=S)(c2ccccc2)c2ccccc2)[C@@H]1P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.P([C@@H]1[C@H](P(=S)(c2ccccc2)c2ccccc2)[C@@H](P(=S)(c2ccccc2)c2ccccc2)[C@H]1P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.6057 ± 0.0002 Å
• b: 13.0547 ± 0.0002 Å
• c: 15.4843 ± 0.0002 Å
• α: 98.1899 ± 0.0009°
• β: 107.875 ± 0.0008°
• γ: 109.663 ± 0.0009°
• Cell volume: 2196.22 ± 0.06 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 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: 0.0466
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No