Information card for entry 7061464

Structure parameters

• Formula: C19 H12 Cl N S
• Calculated formula: C19 H12 Cl N S
• SMILES: S(c1ccc(Cl)cc1)c1c2c(nc3c1cccc3)cccc2
• Title of publication: Dinuclear complexes, a one dimensional chain and a two dimensional layer of bismuth(iii) chalcogenones for C–S cross coupling reactions
• Authors of publication: Mannarsamy, Maruthupandi; Nandeshwar, Muneshwar; Veerapathiran, Sabari; Mandal, Suman; Harijan, Dinesh; Subramaniyam, Kalaivanan; Muduli, Gopendra; Prabusankar, Ganesan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 10256 - 10263
• a: 25.36 ± 0.003 Å
• b: 7.5833 ± 0.0005 Å
• c: 33.138 ± 0.003 Å
• α: 90°
• β: 110.162 ± 0.011°
• γ: 90°
• Cell volume: 5982.3 ± 1.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.3443
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No