Information card for entry 7209764

Structure parameters

• Formula: C3 H12 Bi Cl3 N6 S3
• Calculated formula: C3 H12 Bi Cl3 N6 S3
• SMILES: [Bi]([S]=C(N)N)([S]=C(N)N)([S]=C(N)N)(Cl)(Cl)Cl
• 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: 8.503 ± 0.013 Å
• b: 11.983 ± 0.017 Å
• c: 15.39 ± 0.02 Å
• α: 90°
• β: 90.509 ± 0.018°
• γ: 90°
• Cell volume: 1568 ± 4 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No