Information card for entry 4080419

Structure parameters

• Formula: C62 H74 Au2 Hg2 I6 N10
• Calculated formula: C62 H74 Au2 Hg2 I6 N10
• SMILES: [I]1[Hg]([I][Hg]1(I)I)(I)I.[Au]1=C2N(c3cccc(n3)N3C(=[Au]=C4N(c5cccc(n5)N5C=1N(c1c5cccc1)CCCCCC)c1ccccc1N4CCCCCC)N(c1ccccc31)CCCCCC)c1c(N2CCCCCC)cccc1
• Title of publication: Gold Complexes with Tridentate Cyclometalating and NHC Ligands: A Search for New Photoluminescent Gold(III) Compounds
• Authors of publication: Herbst, Annika; Bronner, Catherine; Dechambenoit, Pierre; Wenger, Oliver S.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1807
• a: 15.568 ± 0.006 Å
• b: 16.01 ± 0.006 Å
• c: 17.581 ± 0.007 Å
• α: 70.348 ± 0.018°
• β: 81.3 ± 0.02°
• γ: 61.965 ± 0.016°
• Cell volume: 3642 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No