Information card for entry 7013221

Structure parameters

• Formula: C53 H34 Bi2 F20 N2 S4
• Calculated formula: C53 H34 Bi2 F20 N2 S4
• SMILES: [Bi]1(Sc2c(F)c(F)c(F)c(F)c2F)([n]2ccc(cc2)C)(c2ccccc2)[S](c2c(F)c(F)c(F)c(F)c2F)[Bi]([S]1c1c(F)c(F)c(F)c(F)c1F)(Sc1c(F)c(F)c(F)c(F)c1F)([n]1ccc(cc1)C)c1ccccc1.C1CCCC1
• Title of publication: Coordination complexes of the bismuth(iii) thiolates Bi(SC6F5)3 and Bi(SC6Cl5)3 with pyridine ligands
• Authors of publication: Anderson, Kirsty M.; Baylies, Christian J.; Monowar Jahan, A. H. M.; Norman, Nicholas C.; Orpen, A. Guy; Starbuck, Jonathan
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 16
• Pages of publication: 3270
• a: 13.7168 ± 0.0018 Å
• b: 13.9845 ± 0.0019 Å
• c: 16.666 ± 0.002 Å
• α: 69.78 ± 0.002°
• β: 81.689 ± 0.002°
• γ: 65.438 ± 0.002°
• Cell volume: 2728.4 ± 0.6 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: 0.0848
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No