Information card for entry 7053104

Structure parameters

• Formula: C22 H19 Au Cl3 N3
• Calculated formula: C22 H19 Au Cl3 N3
• SMILES: [Au](Cl)(Cl)(Cl)=C1N(c2c(cccc2)N1C)CCn1c2ccccc2c2ccccc12
• Title of publication: Carbazole functionalized luminescent silver(i), gold(i) and gold(iii)‒N-heterocyclic carbene complexes: a new synthetic disproportionation approach towards Au(i)‒NHC to provide Au(iii)‒NHC
• Authors of publication: Dinda, Joydev; Adhikary, Sirsendu Das; Seth, Saikat Kumar; Mahapatra, Ambikesh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 2
• Pages of publication: 431
• a: 7.6394 ± 0.0009 Å
• b: 15.8473 ± 0.0018 Å
• c: 8.8524 ± 0.0011 Å
• α: 90°
• β: 95.036 ± 0.003°
• γ: 90°
• Cell volume: 1067.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No