Information card for entry 7219399

Structure parameters

• Formula: C28 H37 Bi Br3 Cl3 N2 S
• Calculated formula: C28 H37 Bi Br3 Cl3 N2 S
• SMILES: [Bi](Br)(Br)(Br)[S]=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C.ClC(Cl)Cl
• Title of publication: Heavier chalcogenone complexes of bismuth(III)trihalides: Potential catalysts for acylative cleavage of cyclic ethers
• Authors of publication: Katam, Srinivas; Suresh, Paladugu; Chatla, Naga Babu; Arruri, Sathyanarayana; Ganesan, Prabusankar
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.0168 ± 0.0004 Å
• b: 12.5839 ± 0.0006 Å
• c: 15.6771 ± 0.0007 Å
• α: 73.883 ± 0.004°
• β: 76.522 ± 0.004°
• γ: 74.563 ± 0.004°
• Cell volume: 1802.71 ± 0.15 ų
• Cell temperature: 156 ± 9 K
• Ambient diffraction temperature: 156 ± 9 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: 0.060451
• Residual factor for significantly intense reflections: 0.059308
• Weighted residual factors for all reflections included in the refinement: 0.16359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02933
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No