Information card for entry 4329413

Structure parameters

• Formula: C48 H50 Eu F9 N2 O6
• Calculated formula: C48 H50 Eu F9 N2 O6
• SMILES: [Eu]1234([O]=C(C5=C(O1)[C@@]1(CC[C@H]5C1(C)C)C)C(F)(F)F)([O]=C(C1=C(O2)[C@@]2(CC[C@H]1C2(C)C)C)C(F)(F)F)([O]=C(C1=C(O3)[C@@]2(CC[C@H]1C2(C)C)C)C(F)(F)F)[n]1c2c(ccc1)ccc1ccc[n]4c21
• 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: 16.3485 ± 0.0003 Å
• b: 12.6514 ± 0.0002 Å
• c: 22.9499 ± 0.0004 Å
• α: 90°
• β: 99.71 ± 0.0007°
• γ: 90°
• Cell volume: 4678.76 ± 0.14 ų
• Cell temperature: 103.1 K
• Ambient diffraction temperature: 103.1 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: 0.023
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No