Information card for entry 7223215

Structure parameters

• Formula: C84 H82 N4 O12 Tb2
• Calculated formula: C84 H82 N4 O12 Tb2
• SMILES: [Tb]123456([O](C(=[O]2)[C@@H](c2ccccc2)CC)[Tb]278([O]1C(=[O]2)[C@@H](c1ccccc1)CC)([O]=C(O4)[C@@H](c1ccccc1)CC)([O]=C(O3)[C@H](CC)c1ccccc1)([O]=C(O8)[C@@H](c1ccccc1)CC)[n]1c2c(ccc1)ccc1c2[n]7ccc1)([O]=C(O6)[C@H](CC)c1ccccc1)[n]1c2c3[n]5cccc3ccc2ccc1
• Title of publication: Homochiral luminescent lanthanide dinuclear complexes derived from a chiral carboxylate
• Authors of publication: Wen, He-Rui; Xie, Xin-Rong; Liu, Sui-Jun; Bao, Jun; Wang, Feng-Feng; Liu, Cai-Ming; Liao, Jin-Sheng
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 12.8517 ± 0.0015 Å
• b: 22.976 ± 0.003 Å
• c: 13.4781 ± 0.0015 Å
• α: 90°
• β: 109.129 ± 0.003°
• γ: 90°
• Cell volume: 3760.1 ± 0.8 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299.28 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No