Information card for entry 7062411

Structure parameters

• Formula: C80.86 H97.15 N6 O7.42 Yb
• Calculated formula: C72 H75 N6 O3 Yb
• 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: 13.6724 ± 0.0009 Å
• b: 19.0215 ± 0.0012 Å
• c: 28.6433 ± 0.0018 Å
• α: 89.019 ± 0.002°
• β: 78.465 ± 0.002°
• γ: 78.817 ± 0.002°
• Cell volume: 7158.4 ± 0.8 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: 0.0822
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No