Information card for entry 7017590

Structure parameters

• Formula: C51 H39 Bi3 O6 S3
• Calculated formula: C51 H39 Bi3 O6 S3
• Title of publication: Structural motifs in phenylbismuth heterocyclic carboxylates‒secondary interactions leading to oligomers.
• Authors of publication: Anjaneyulu, O.; Maddileti, D.; Kumara Swamy, K. C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 1004 - 1012
• a: 9.238 ± 0.002 Å
• b: 17.369 ± 0.004 Å
• c: 30.368 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4872.7 ± 1.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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 all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No