Information card for entry 7054233

Structure parameters

• Formula: C25 H28 N7 O4 S3 Y
• Calculated formula: C25 H28 N7 O4 S3 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: 13.6795 ± 0.0005 Å
• b: 14.0922 ± 0.0006 Å
• c: 15.6687 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3020.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No