Information card for entry 4322859

Structure parameters

• Formula: C36 H28 O5 P2 Re2 S2
• Calculated formula: C36 H28 O5 P2 Re2 S2
• SMILES: [Re]12(Sc3c([P]1(c1ccccc1)c1ccccc1)cccc3)(Sc1c([P]2(c2ccccc2)c2ccccc2)cccc1)(=O)O[Re](=O)(=O)=O
• Title of publication: Synthesis and Characterization of Rhenium Phosphinothiolate Complexes. Crystal and Molecular Structures of [HNEt3][Re{P(C6H4S)3}2], [ReOCl{OP(C6H5)2(C6H4S)}{(P(C6H5)2(C6H4S)}], [Re2O5{P(C6H5)2(C6H4S)}2], and [ReOCl{OP(C6H5)2(2-SC6H3-3-SiMe3)}2]
• Authors of publication: Paulo Perez-Lourido; J. Romero; J. Garcia-Vazquez; Antonio Sousa; Kevin P. Maresca; David J. Rose; Jon Zubieta
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3331 - 3336
• a: 10.6714 ± 0.0001 Å
• b: 24.0076 ± 0.0002 Å
• c: 13.363 ± 0.001 Å
• α: 90°
• β: 93.65°
• γ: 90°
• Cell volume: 3416.6 ± 0.3 ų
• Cell temperature: 293 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections: 0.1219
• Weighted residual factors for significantly intense reflections: 0.1181
• Goodness-of-fit parameter for all reflections: 1.125
• Goodness-of-fit parameter for significantly intense reflections: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No