Information card for entry 7054290

Structure parameters

• Formula: C80 H108 O18 S2
• Calculated formula: C80 H108 O18 S2
• Title of publication: A facile synthetic route to convert Tb(iii) complexes of novel tetra-1,3-diketone calix[4]resorcinarene into hydrophilic luminescent colloids
• Authors of publication: Shamsutdinova, Nataliya A.; Podyachev, Sergey N.; Sudakova, Svetlana N.; Mustafina, Asiya R.; Zairov, Rustem R.; Burilov, Vladimir A.; Nizameev, Irek R.; Rizvanov, Ildar Kh.; Syakaev, Victor V.; Gabidullin, Bulat M.; Katsuba, Sergey A.; Gubaidullin, Aidar T.; Safiullin, Georgy M.; Dehaen, Wim
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 9
• Pages of publication: 4130
• a: 15.304 ± 0.004 Å
• b: 15.485 ± 0.004 Å
• c: 16.753 ± 0.004 Å
• α: 95.535 ± 0.003°
• β: 96.166 ± 0.003°
• γ: 90.366 ± 0.003°
• Cell volume: 3928.2 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1671
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.3062
• Weighted residual factors for all reflections included in the refinement: 0.3688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No