Information card for entry 7111176

Structure parameters

• Chemical name: [5-methoxy-8-({2,4,6-trinitrophenyl}amino)quinolinyl-1] (triphenylphosphine)gold(I)
• Formula: C34 H25 Au N5 O7 P
• Calculated formula: C34 H25 Au N5 O7 P
• SMILES: [Au]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)N(c2c(N(=O)=O)cc(N(=O)=O)cc2N(=O)=O)c2ccc(OC)c3ccc[n]1c23
• Title of publication: Different positions of the formally isolobal moieties H+ and (AuPPh3)+ in N-(5-methoxyquinolyl-8)-2,4,6-trinitroaniline and its auration product
• Authors of publication: Kuz’mina, Lyudmila G.; Churakov, Andrei V.; Bagatur’yants, Alexander A.; Howard, Judith A. K.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 15
• Pages of publication: 1394
• a: 7.581 ± 0.002 Å
• b: 13.085 ± 0.001 Å
• c: 16.626 ± 0.001 Å
• α: 74.43 ± 0.01°
• β: 77.98 ± 0.01°
• γ: 82.33 ± 0.01°
• Cell volume: 1548.6 ± 0.4 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections: 0.1588
• Weighted residual factors for significantly intense reflections: 0.1267
• Goodness-of-fit parameter for all reflections: 1.141
• Goodness-of-fit parameter for significantly intense reflections: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No