Information card for entry 7013220

Structure parameters

• Formula: C84 H23 Bi3 F55 N3 S11
• Calculated formula: C84 H22 Bi3 F55 N3 S11
• SMILES: [Bi](Sc1c(F)c(F)c(F)c(F)c1F)(Sc1c(F)c(F)c(F)c(F)c1F)(Sc1c(F)c(F)c(F)c(F)c1F)[S]([Bi](Sc1c(F)c(F)c(F)c(F)c1F)(Sc1c(F)c(F)c(F)c(F)c1F)(Sc1c(F)c(F)c(F)c(F)c1F)[S]([Bi](Sc1c(F)c(F)c(F)c(F)c1F)(Sc1c(F)c(F)c(F)c(F)c1F)Sc1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.c1[nH+]ccc(c1)C.[nH+]1ccc(cc1)C.n1ccc(cc1)C
• 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: 15.128 ± 0.008 Å
• b: 28.483 ± 0.015 Å
• c: 22.941 ± 0.009 Å
• α: 90°
• β: 99.93 ± 0.04°
• γ: 90°
• Cell volume: 9737 ± 8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1311
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No