Information card for entry 4329412

Structure parameters

• Formula: C61 H65 Eu F9 N3 O8
• Calculated formula: C61 H65 Eu F9 N3 O8
• SMILES: [Eu]12345([O]=C(C(F)(F)F)C6=C(O1)[C@@]1(CC[C@H]6C1(C)C)C)([O]=C(C(F)(F)F)C1=C(O2)[C@@]2(CC[C@H]1C2(C)C)C)([O]=C(C(F)(F)F)C1=C(O3)[C@@]2(CC[C@H]1C2(C)C)C)[N]1[C@@H](C)[C@@H](OC=1c1[n]4c(ccc1)C1=[N]5[C@H]([C@@H](O1)c1ccccc1)C)c1ccccc1
• Title of publication: Nona-Coordinated Chiral Eu(III) Complexes with Stereoselective Ligand-Ligand Noncovalent Interactions for Enhanced Circularly Polarized Luminescence
• Authors of publication: Takashi Harada; Hiroyuki Tsumatori; Katsura Nishiyama; Junpei Yuasa; Yasuchika Hasegawa; Tsuyoshi Kawai
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6476 - 6485
• a: 10.0931 ± 0.0003 Å
• b: 13.4287 ± 0.0003 Å
• c: 22.2764 ± 0.0005 Å
• α: 90°
• β: 95.8361 ± 0.0007°
• γ: 90°
• Cell volume: 3003.63 ± 0.13 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No