Information card for entry 4341181

Structure parameters

• Formula: C38 H16 Au Cl3 F15 O2 P
• Calculated formula: C38 H16 Au Cl3 F15 O2 P
• SMILES: [Au]([P](c1ccccc1)(c1ccc(cc1)C(=O)O)c1ccccc1)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.C(Cl)(Cl)Cl
• Title of publication: H-bonded adducts of [2,4,6-{(C10H21O)3C6H2NH}3C3N3] with [LnM{PPh2(C6H4CO2H)}] displaying Columnar Mesophases at Room Temperature.
• Authors of publication: Miguel-Coello, Ana B; Bardají, Manuel; Coco, Silverio; Donnio, Bertrand; Heinrich, Benoît; Espinet, Pablo
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 10893 - 10902
• a: 9.854 ± 0.0008 Å
• b: 10.4075 ± 0.0004 Å
• c: 19.2765 ± 0.0017 Å
• α: 92.533 ± 0.005°
• β: 99.2 ± 0.007°
• γ: 93.152 ± 0.005°
• Cell volume: 1945.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No