Information card for entry 7062413

Structure parameters

• Formula: C83.88 H102.72 Er N6 O3
• Calculated formula: C72 H75 Er N6 O3
• Title of publication: New NIR-luminescent lanthanide complexes with tridentate oxybenzophenanthroline ligands
• Authors of publication: Balashova, Tatyana V.; Arsenyev, Maxim V.; Polyakova, Svetlana K.; Ilichev, Vasily A.; Rumyantcev, Roman V.; Fukin, Georgy K.; Yablonskiy, Artem N.; Bochkarev, Mikhail N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 19
• Pages of publication: 9164 - 9173
• a: 17.9742 ± 0.0003 Å
• b: 20.4799 ± 0.0003 Å
• c: 20.6115 ± 0.0003 Å
• α: 87.746 ± 0.001°
• β: 84.166 ± 0.001°
• γ: 74.752 ± 0.001°
• Cell volume: 7281.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No