Information card for entry 7209765

Structure parameters

• Formula: C3 H12 Bi Cl3 N6 S3
• Calculated formula: C3 H12 Bi Cl3 N6 S3
• Title of publication: Crystal growth and characterization of a new polymorph of bismuth trithiourea chloride
• Authors of publication: Li, Ming; Li, R. K.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 4176
• a: 13.593 ± 0.0011 Å
• b: 13.593 ± 0.0011 Å
• c: 7.1406 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1142.6 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No