Information card for entry 7001953

Structure parameters

• Common name: ((Au(C18)2-imy)(C18-im))(MO3)
• Formula: C60 H116 Au N5 O3
• Calculated formula: C60 H116 Au N5 O3
• SMILES: [Au]([n]1cn(cc1)CCCCCCCCCCCCCCCCCC)=C1N(C=CN1CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.N(=O)(=O)[O-]
• Title of publication: Liquid crystals of gold(I) N-heterocyclic carbene complexes
• Authors of publication: Huang, Roy T. W.; Wang, W. C.; Yang, R. Y.; Lu, J. T.; Lin, Ivan J. B.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7121
• a: 10.1515 ± 0.0015 Å
• b: 10.3189 ± 0.0015 Å
• c: 31.29 ± 0.005 Å
• α: 99.31 ± 0.004°
• β: 90.394 ± 0.005°
• γ: 98.39 ± 0.004°
• Cell volume: 3198.3 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.0832
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No