Information card for entry 4080417

Structure parameters

• Formula: C38 H50 Au2 F12 N10 P2
• Calculated formula: C38 H50 Au2 F12 N10 P2
• SMILES: C(CN1C2N(C=C1)c1cccc(n1)N1C(N(C=C1)CCCC)=[Au]=C1N(CCCC)C=CN1c1cccc(n1)N1C(=[Au]=2)N(C=C1)CCCC)CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 13.2988 ± 0.0003 Å
• b: 13.2988 ± 0.0003 Å
• c: 45.8519 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7022.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No