Information card for entry 7053103

Structure parameters

• Formula: C54 H44 Au F6 N8 P
• Calculated formula: C54 H44 Au F6 N8 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Au](=C1N(c2ccccc2N1CCn1c2ccccc2c2ccccc12)Cc1ncccc1)=C1N(c2ccccc2N1CCn1c2ccccc2c2ccccc12)Cc1ncccc1
• 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: 10.107 ± 0.002 Å
• b: 11.469 ± 0.001 Å
• c: 12.087 ± 0.002 Å
• α: 113.244 ± 0.001°
• β: 100.451 ± 0.003°
• γ: 106.521 ± 0.001°
• Cell volume: 1163.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No