Information card for entry 4344425

Structure parameters

• Chemical name: Bis(cyano-κC)[2-(isoquinolin-1-yl-κN)phenyl-κC^1^]gold(iii)
• Formula: C17 H10 Au N3
• Calculated formula: C17 H10 Au N3
• SMILES: [Au]1(c2c(c3c4c(cc[n]13)cccc4)cccc2)(C#N)C#N
• Title of publication: Monocyclometalated Gold(III) Complexes Bearing π-Accepting Cyanide Ligands: Syntheses, Structural, Photophysical, and Electrochemical Investigations.
• Authors of publication: Szentkuti, Alexander; Garg, Jai Anand; Blacque, Olivier; Venkatesan, Koushik
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 22
• Pages of publication: 10748 - 10760
• a: 11.703 ± 0.0003 Å
• b: 7.1297 ± 0.00014 Å
• c: 32.3455 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2698.87 ± 0.1 ų
• Cell temperature: 183 ± 1 K
• Ambient diffraction temperature: 183 ± 1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No