Information card for entry 8102650

Structure parameters

• Chemical name: Bi~2~(5-Br-PT)~6~?DMF [Br-HPT = bromine substituted 1-hydroxy-2(1H)-pyridinethione]
• Formula: C33 H25 Bi2 Br6 N7 O7 S6
• Calculated formula: C33 H25 Bi2 Br6 N7 O7 S6
• SMILES: [Bi]1234([O]([Bi]567([O]1=n1c(S5)ccc(Br)c1)([O]=n1c(S6)ccc(Br)c1)[O]=n1c(S7)ccc(Br)c1)=n1c(S2)ccc(Br)c1)([O]=n1c(S3)ccc(Br)c1)[O]=n1c(S4)ccc(Br)c1.N(C=O)(C)C
• Title of publication: Crystal structure of 5-bromo-1-hydroxy-2(1H)pyridinethionedibismuth(III) — dimethylformamid (1:1), Bi2(C5H3BrNOS)6 · C3H7NO
• Authors of publication: De-Zhong Niu; Lin Yao; De-Liang Ma; Hao Ding; Rui Sun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 277
• a: 13.4841 ± 0.0011 Å
• b: 13.6309 ± 0.0012 Å
• c: 15.2493 ± 0.0014 Å
• α: 94.434 ± 0.001°
• β: 114.215 ± 0.002°
• γ: 107.841 ± 0.002°
• Cell volume: 2365.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No