Information card for entry 7013210

Structure parameters

• Formula: C24 H14 Bi Cl15 N2 O2 S3
• Calculated formula: C24 H14 Bi Cl15 N2 O2 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)([O]=CN(C)C)[O]=CN(C)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: 9.599 ± 0.0013 Å
• b: 14.627 ± 0.002 Å
• c: 26.667 ± 0.004 Å
• α: 90°
• β: 97.179 ± 0.003°
• γ: 90°
• Cell volume: 3714.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1051
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No