Information card for entry 7062148

Structure parameters

• Formula: C26 H21 I N4
• Calculated formula: C26 H21 I N4
• SMILES: [I-].n1n(cc(Cn2c3c(cccc3)c3ccccc23)[n+]1C)c1c2ccccc2ccc1
• 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: 7.2137 ± 0.0003 Å
• b: 27.0679 ± 0.001 Å
• c: 22.9078 ± 0.0007 Å
• α: 90°
• β: 90.19 ± 0.003°
• γ: 90°
• Cell volume: 4472.9 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.054
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0221
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No