Information card for entry 4079252

Structure parameters

• Common name: Complex_15
• Formula: C11 H15 Br2 N5 Pd S
• Calculated formula: C11 H15 Br2 N5 Pd S
• Title of publication: Silver and Palladium Complexes Containing Ditopic N-Heterocyclic Carbene‒Thione Ligands
• Authors of publication: Slivarichova, Miriam; Reading, Eamonn; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 18
• Pages of publication: 6595
• a: 20.408 ± 0.003 Å
• b: 10.2059 ± 0.0012 Å
• c: 18.247 ± 0.002 Å
• α: 90°
• β: 107.452 ± 0.004°
• γ: 90°
• Cell volume: 3625.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No