Information card for entry 7055485

Structure parameters

• Formula: C96 H104 F15 N18.5 O32.5 P2.5 Ru3 Tb
• Calculated formula: C96 H66 F15 N18.5 O32.5 P2.5 Ru3 Tb
• Title of publication: Observation of cascade f →d →f energy transfer in sensitizing near-infrared (NIR) lanthanide complexes containing the Ru(ii) polypyridine metalloligand
• Authors of publication: Zhang, Lu-Yin; Li, Kang; Pan, Mei; Fan, Ya-Nan; Wang, Hai-Ping; Su, Cheng-Yong
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 6
• Pages of publication: 5379
• a: 23.9537 ± 0.0005 Å
• b: 41.5149 ± 0.0009 Å
• c: 23.8634 ± 0.0004 Å
• α: 90°
• β: 108.316 ± 0.002°
• γ: 90°
• Cell volume: 22528.4 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1222
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No