Information card for entry 7013218

Structure parameters

• Formula: C27 H10.5 Bi Cl15 N1.5 S3
• Calculated formula: C27 H10.5 Bi Cl15 N1.5 S3
• SMILES: [Bi](Sc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)(Sc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Sc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl.c1cccc(C)n1
• 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: 8.699 ± 0.003 Å
• b: 20.999 ± 0.007 Å
• c: 21.75 ± 0.007 Å
• α: 73.156 ± 0.006°
• β: 79.295 ± 0.006°
• γ: 83.468 ± 0.006°
• Cell volume: 3729 ± 2 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: 0.1247
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No