Information card for entry 4344422

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: C(#N)[Au]1(c2c(c3c4c(cc[n]13)cccc4)cccc2)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: 8.6426 ± 0.0003 Å
• b: 11.7302 ± 0.0003 Å
• c: 13.6974 ± 0.0005 Å
• α: 90°
• β: 100.563 ± 0.003°
• γ: 90°
• Cell volume: 1365.1 ± 0.08 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No