Information card for entry 4335255

Structure parameters

• Formula: C18 H38 Bi2 Cl6 F6 N2 O6 P4 Pd S2
• Calculated formula: C18 H38 Bi2 Cl6 F6 N2 O6 P4 Pd S2
• SMILES: S(=O)(=[O]1)(C(F)(F)F)O[Bi]([N]#CC)(Cl)(Cl)(Cl)[O]=S(=O)(C(F)(F)F)O[Bi]1([N]#CC)(Cl)(Cl)Cl.C1C[P](C)(C)[Pd]2([P]1(C)C)[P](CC[P]2(C)C)(C)C
• Title of publication: Coordination Complexes of Bismuth Triflates with Tetrahydrofuran and Diphosphine Ligands
• Authors of publication: Chitnis, Saurabh S.; Burford, Neil; Decken, Andreas; Ferguson, Michael J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 7242 - 7248
• a: 8.9289 ± 0.0004 Å
• b: 9.8177 ± 0.0004 Å
• c: 13.9674 ± 0.0006 Å
• α: 106.68 ± 0.0004°
• β: 94.1676 ± 0.0005°
• γ: 107.245 ± 0.0005°
• Cell volume: 1103.37 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.014
• Residual factor for significantly intense reflections: 0.0136
• Weighted residual factors for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections included in the refinement: 0.0331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No