Information card for entry 7715699

Structure parameters

• Formula: C56 H90 Er2 N4 O28 S16
• Calculated formula: C52 H78 Er2 N4 O26 S14
• Title of publication: Lanthanide complexes with an azo-dye chromophore ligand: syntheses, crystal structures, and near-infrared luminescence by long-wavelength excitation.
• Authors of publication: Chen, Yun-Long; Feng, Min; Zhu, Xiaofei; Zheng, Zhiping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 7350 - 7357
• a: 11.2494 ± 0.0006 Å
• b: 14.5051 ± 0.0007 Å
• c: 15.046 ± 0.0008 Å
• α: 113.056 ± 0.003°
• β: 90.302 ± 0.003°
• γ: 111.853 ± 0.003°
• Cell volume: 2063.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No