Information card for entry 4086254

Structure parameters

• Formula: C17 H16 Au Cl I N3 O
• Calculated formula: C17 H16 Au Cl I N3 O
• SMILES: [Au](I)c1c(COc2ccccc2)n(n[n+]1Cc1ccc(Cl)cc1)C
• Title of publication: Phenoxy-Linked Mesoionic Triazol-5-ylidenes as Platforms for Multinuclear Transition Metal Complexes
• Authors of publication: Mendoza-Espinosa, Daniel; González-Olvera, Rodrigo; Negrón-Silva, Guillermo E.; Angeles-Beltrán, Deyanira; Suárez-Castillo, Oscar R.; Álvarez-Hernández, Alejandro; Santillan, Rosa
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 4529
• a: 26.122 ± 0.002 Å
• b: 7.5494 ± 0.0005 Å
• c: 20.104 ± 0.0016 Å
• α: 90°
• β: 102.4 ± 0.008°
• γ: 90°
• Cell volume: 3872.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No