Information card for entry 7013212

Structure parameters

• Formula: C33 H15 Bi F15 N3 S3
• Calculated formula: C33 H15 Bi F15 N3 S3
• 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)([n]1ccccc1)[n]1ccccc1.n1ccccc1
• 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: 10.0822 ± 0.0006 Å
• b: 20.558 ± 0.002 Å
• c: 17.13 ± 0.002 Å
• α: 90°
• β: 97.476 ± 0.01°
• γ: 90°
• Cell volume: 3520.4 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No