Information card for entry 7211447

Structure parameters

• Formula: C14 H14 Bi N3 O4 S2
• Calculated formula: C14 H14 Bi N3 O4 S2
• Title of publication: A novel 3-D chiral bismuth‒organic framework with mixed carboxylate, pyridine and thiolate donors exhibiting a semiconductive property
• Authors of publication: Sun, Yan-Qiong; Ge, Su-Zhi; Liu, Qi; Zhong, Jie-Cen; Chen, Yi-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 47
• Pages of publication: 10188
• a: 10.0459 ± 0.0002 Å
• b: 11.4179 ± 0.0003 Å
• c: 15.4175 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1768.43 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No