Information card for entry 7054238

Structure parameters

• Formula: C46 H37 N14 O S6 Y
• Calculated formula: C46 H37 N14 O S6 Y
• Title of publication: Supramolecular aggregation of yttrium thiocyanate with 4,4′-bipyridine
• Authors of publication: Petrosyants, Svetlana; Dobrokhotova, Zhanna; Ilyukhin, Andrey; Novotortsev, Vladimir
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 8
• Pages of publication: 3803
• a: 14.789 ± 0.0009 Å
• b: 18.1748 ± 0.0012 Å
• c: 19.6738 ± 0.0012 Å
• α: 90°
• β: 106.229 ± 0.002°
• γ: 90°
• Cell volume: 5077.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0872
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No