Information card for entry 7239084

Structure parameters

• Formula: C26 H20 Br N3 O2 S
• Calculated formula: C26 H20 Br N3 O2 S
• Title of publication: New cycloimmonium ylide ligands and their palladium(ii) affinities
• Authors of publication: Postolachi, Rodica; Danac, Ramona; Buurma, Niklaas J.; Pui, Aurel; Balan, Mihaela; Shova, Sergiu; Deleanu, Calin
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 38
• Pages of publication: 17260
• a: 16.705 ± 0.002 Å
• b: 21.458 ± 0.002 Å
• c: 12.8736 ± 0.0009 Å
• α: 90°
• β: 99.698 ± 0.009°
• γ: 90°
• Cell volume: 4548.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3011
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No