Information card for entry 7047812

Structure parameters

• Formula: C32 H20 Br4 Er N5 O5
• Calculated formula: C32 H20 Br4 Er N5 O5
• Title of publication: Mixed chelating ligands used to regulate the luminescence of Ln(iii) complexes and single-ion magnet behavior in Dy-based analogues.
• Authors of publication: Wang, Hai-Ling; Ma, Xiong-Feng; Zou, Hua-Hong; Wang, Kai; Li, Bo; Chen, Zi-Lu; Liang, Fu-Pei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 44
• Pages of publication: 15929 - 15940
• a: 13.552 ± 0.004 Å
• b: 16.758 ± 0.005 Å
• c: 14.397 ± 0.004 Å
• α: 90°
• β: 97.625 ± 0.004°
• γ: 90°
• Cell volume: 3240.7 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0378
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No