Information card for entry 4322838

Structure parameters

• Chemical name: tris(mu!2$-3,5-bis(4'-methoxyphenyl)pyrazolato-N,N')-tri-gold(i) 1/2 methanol solvate
• Formula: C103 H94 Au6 N12 O13
• Calculated formula: C102.99 H54 Au6 N12 O12.99
• Title of publication: (Pyrazolato)gold Complexes Showing Room-Temperature Columnar Mesophases. Synthesis, Properties, and Structural Characterization
• Authors of publication: Joaquín Barberá; Anabel Elduque; Raquel Giménez; Fernando J. Lahoz; José A. López; Luis A. Oro; José L. Serrano
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2960 - 2967
• a: 23.185 ± 0.003 Å
• b: 23.843 ± 0.003 Å
• c: 18.174 ± 0.003 Å
• α: 90°
• β: 104.777 ± 0.008°
• γ: 90°
• Cell volume: 9714 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1463
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No