Information card for entry 7708792

Structure parameters

• Formula: C30 H27 Au Cl N3
• Calculated formula: C30 H27 Au Cl N3
• SMILES: n1n(c2c(cc(cc2C)C)C(c2ccccc2)c2ccccc2)c(c([n+]1C)c1ccccc1)[Au]Cl
• Title of publication: A gold(i) 1,2,3-triazolylidene complex featuring the interaction between gold and methine hydrogen
• Authors of publication: Narayana, Mannem Adi; Vaddamanu, Moulali; Sathyanarayana, Arruri; Siddhant, Kumar; Sugiyama, Shohei; Ozaki, Kazuhisa; Rengan, Aravind Kumar; Velappan, Kavitha; Hisano, Kyohei; Tsutsumi, Osamu; Prabusankar, Ganesan
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 10.0475 ± 0.0007 Å
• b: 10.7852 ± 0.0005 Å
• c: 13.3559 ± 0.0008 Å
• α: 103.912 ± 0.004°
• β: 107.59 ± 0.006°
• γ: 93.543 ± 0.005°
• Cell volume: 1324.95 ± 0.15 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No