Information card for entry 7030498

Structure parameters

• Formula: C57 H32 F15 N2 O6 Sm
• Calculated formula: C57 H32 F15 N2 O6 Sm
• SMILES: c1(cc2ccccc2cc1)C1=CC(C(C(F)(F)F)(F)F)=[O][Sm]234([n]5c6c7c(ccc[n]27)ccc6ccc5)(O1)([O]=C(c1cc2ccccc2cc1)C=C(C(C(F)(F)F)(F)F)O3)[O]=C(c1cc2ccccc2cc1)C=C(C(C(F)(F)F)(F)F)O4
• Title of publication: Near-infrared luminescent xerogel materials covalently bonded with ternary lanthanide [Er(III), Nd(III), Yb(III), Sm(III)] complexes
• Authors of publication: Feng, Jing; Yu, Jiang-Bo; Song, Shu-Yan; Sun, Li-Ning; Fan, Wei-Qiang; Guo, Xian-Min; Dang, Song; Zhang, Hong-Jie
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 13
• Pages of publication: 2406 - 2414
• a: 12.633 ± 0.003 Å
• b: 20.161 ± 0.004 Å
• c: 21.541 ± 0.004 Å
• α: 79.599 ± 0.004°
• β: 86.203 ± 0.004°
• γ: 83.818 ± 0.004°
• Cell volume: 5358.7 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2118
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7000824
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No