Information card for entry 4079254

Structure parameters

• Common name: Complex_17
• Formula: C37 H39 Br2 N5 P2 Pd S
• Calculated formula: C37 H39 Br2 N5 P2 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: 35.5377 ± 0.0014 Å
• b: 13.3056 ± 0.0005 Å
• c: 16.5435 ± 0.0006 Å
• α: 90°
• β: 105.493 ± 0.002°
• γ: 90°
• Cell volume: 7538.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0956
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No