Information card for entry 4079249

Structure parameters

• Common name: Complex_6
• Formula: C42 H40 Ag2 Br2 N8 S2
• Calculated formula: C42 H40 Ag2 Br2 N8 S2
• SMILES: C12N(C=CN1Cc1ccccc1)CN1C(N(CC1)Cc1ccccc1)=[Ag]1([S]=2)[Br][Ag]2(=C3N(CN4C(N(Cc5ccccc5)C=C4)=[S]2)C=CN3Cc2ccccc2)[Br]1
• 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: 12.4284 ± 0.0007 Å
• b: 11.4574 ± 0.0006 Å
• c: 15.0842 ± 0.0008 Å
• α: 90°
• β: 107.529 ± 0.002°
• γ: 90°
• Cell volume: 2048.21 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No