Information card for entry 7223217

Structure parameters

• Formula: C84 H82 Ho2 N4 O12
• Calculated formula: C84 H82 Ho2 N4 O12
• SMILES: [Ho]123456([O]7[Ho]89([O]2C(=[O]3)[C@@H](c2ccccc2)CC)([O]=C7[C@H](CC)c2ccccc2)([O]=C(O8)[C@@H](c2ccccc2)CC)([O]=C(O1)[C@@H](c1ccccc1)CC)([n]1c2c3[n]9cccc3ccc2ccc1)[O]=C(O4)[C@@H](c1ccccc1)CC)([O]=C(O5)[C@@H](c1ccccc1)CC)[n]1c2c(ccc1)ccc1c2[n]6ccc1
• 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: 12.819 ± 0.003 Å
• b: 22.916 ± 0.004 Å
• c: 13.425 ± 0.003 Å
• α: 90°
• β: 109.174 ± 0.004°
• γ: 90°
• Cell volume: 3725 ± 1.4 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 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: 0.08
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No