Information card for entry 7062147

Structure parameters

• Chemical name: Abnormal Au complex 2
• Formula: C25 H24 Au Cl N4
• Calculated formula: C25 H24 Au Cl N4
• SMILES: [Au](Cl)c1n(n[n+](c1Cn1c2ccccc2c2ccccc12)C)c1c(C)cc(cc1C)C
• 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: 16.6671 ± 0.0004 Å
• b: 13.2879 ± 0.0003 Å
• c: 21.1978 ± 0.0005 Å
• α: 90°
• β: 97.521 ± 0.002°
• γ: 90°
• Cell volume: 4654.3 ± 0.19 ų
• Cell temperature: 119.99 ± 0.1 K
• Ambient diffraction temperature: 119.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No