Information card for entry 4321540

Structure parameters

• Chemical name: Bis{2,6-Bis-[1-ethyl-6-(4-dodecyloxy)benzyloxy-benzimidazol-2-yl]- pyridine-tristrifluoroacetato-Lutecium(III)}
• Formula: C134 H162 F18 Lu2 N10 O20
• Calculated formula: C134 H162 F18 Lu2 N10 O20
• SMILES: c12cccc3[n]2[Lu]245([n]6c1n(c1c6ccc(c1)OCc1ccc(OCCCCCCCCCCCC)cc1)CC)([n]1c3n(c3c1ccc(OCc1ccc(OCCCCCCCCCCCC)cc1)c3)CC)([O]=C(C(F)(F)F)O2)([O]=C(C(F)(F)F)O4)[O]=C(C(F)(F)F)O[Lu]1234([n]6c(cccc6c6[n]2c2ccc(OCc7ccc(OCCCCCCCCCCCC)cc7)cc2n6CC)c2[n]1c1ccc(OCc6ccc(OCCCCCCCCCCCC)cc6)cc1n2CC)([O]=C(C(F)(F)F)O4)([O]=C(C(F)(F)F)O3)[O]=C(C(F)(F)F)O5
• Title of publication: Extended Rodlike Polyaromatic Receptors with Bent Tridentate Units Complexed to Lanthanide Metal Ions
• Authors of publication: Homayoun Nozary; Claude Piguet; Jean-Pierre Rivera; Paul Tissot; Gérald Bernardinelli; Nathalie Vuillermet; Jacques Weber; Jean-Claude G. Bünzli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5286 - 5298
• a: 13.964 ± 0.003 Å
• b: 14.217 ± 0.003 Å
• c: 18.661 ± 0.002 Å
• α: 110.6 ± 0.01°
• β: 102.78 ± 0.02°
• γ: 97.88 ± 0.01°
• Cell volume: 3286.8 ± 1.2 ų
• Cell temperature: 200 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 significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.68
• Diffraction radiation wavelength: 1.54183 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No