Information card for entry 7013213

Structure parameters

• Formula: C33 H15 Bi Cl15 N3 S3
• Calculated formula: C33 H15 Bi Cl15 N3 S3
• SMILES: c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)S[Bi]([n]1ccccc1)([n]1ccccc1)(Sc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Sc1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl.c1ccccn1
• 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: 17.82 ± 0.003 Å
• b: 14.94 ± 0.003 Å
• c: 17.057 ± 0.003 Å
• α: 90°
• β: 110.423 ± 0.015°
• γ: 90°
• Cell volume: 4255.7 ± 1.4 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: 0.1443
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No