Information card for entry 4341179

Structure parameters

• Formula: C19 H15 Au Cl O2 P
• Calculated formula: C19 H15 Au Cl O2 P
• SMILES: [Au](Cl)[P](c1ccccc1)(c1ccccc1)c1ccc(cc1)C(=O)O
• 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: 18.9328 ± 0.0005 Å
• b: 7.12915 ± 0.00016 Å
• c: 16.7656 ± 0.0004 Å
• α: 90°
• β: 94.008 ± 0.002°
• γ: 90°
• Cell volume: 2257.4 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No