Information card for entry 4079250

Structure parameters

• Common name: Complex_9
• Formula: C18 H24 Br2 N8 Pd S2
• Calculated formula: C18 H24 Br2 N8 Pd S2
• SMILES: C12N(C=CN1CN1C(N(C=C1)C)=[Pd]1([S]=2)=C2N(CN3C(N(C=C3)C)=[S]1)C=CN2C)C.[Br-].[Br-]
• 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: 8.2063 ± 0.0007 Å
• b: 35.516 ± 0.003 Å
• c: 37.039 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10795.2 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No