Information card for entry 7062146

Structure parameters

• Chemical name: Abnormal NHC 1
• Formula: C26 H20 Au Cl N4
• Calculated formula: C26 H20 Au Cl N4
• SMILES: [Au](c1n(n[n+](c1Cn1c2ccccc2c2ccccc12)C)c1c2ccccc2ccc1)Cl
• Title of publication: Thermally stable carbazole tagged Au(i)–mesoionic N-heterocyclic carbene complexes with diverse gold–hydrogen bonds
• Authors of publication: Kalaivanan, Subramaniyam; Moulali, Vaddamanu; Siddhant, Kumar; Velappan, Kavitha; Hisano, Kyohei; Tsutsumi, Osamu; Prabusankar, Ganesan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 1
• Pages of publication: 491 - 499
• a: 13.1307 ± 0.0004 Å
• b: 8.5693 ± 0.0002 Å
• c: 20.6523 ± 0.0005 Å
• α: 90°
• β: 100.607 ± 0.002°
• γ: 90°
• Cell volume: 2284.11 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0669
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0588
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No