Information card for entry 7009293

Structure parameters

• Formula: C8 H20 Bi Br3 S4
• Calculated formula: C8 H20 Bi Br3 S4
• SMILES: [Bi]12(Br)(Br)(Br)([S](C)CC[S]1C)[S](C)CC[S]2C
• Title of publication: Synthesis and structures of bismuth(III) complexes involving thio- and seleno-ether ligands
• Authors of publication: Barton, Andrew J.; Genge, Anthony R. J.; Levason, William; Reid, Gillian
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 6
• Pages of publication: 859
• a: 13.04 ± 0.001 Å
• b: 14.493 ± 0.002 Å
• c: 9.883 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1867.8 ± 0.5 ų
• Cell temperature: 150.1 K
• Ambient diffraction temperature: 150.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No