Information card for entry 7224767

Structure parameters

• Formula: C82 H66 Er2 N2 O12
• Calculated formula: C82 H66 Er2 N2 O12
• SMILES: [Er]123([O](c4c5[n]6cccc5ccc4)[Er]4567([O]1c1c6[n]7cccc6ccc1)(OC(=CC(=[O]5)c1ccccc1)c1ccccc1)OC(=CC(=[O]4)c1ccccc1)c1ccccc1)([O]=C(c1ccccc1)C=C(O3)c1ccccc1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)[OH]C.O=C(C)C
• Title of publication: Near-infrared luminescence and SMM behaviors of a family of dinuclear lanthanide 8-quinolinolate complexes
• Authors of publication: Shen, Hai-Yun; Wang, Wen-Min; Gao, Hong-Ling; Cui, Jian-Zhong
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.064 ± 0.002 Å
• b: 18.015 ± 0.004 Å
• c: 18.101 ± 0.004 Å
• α: 87.1 ± 0.03°
• β: 76.3 ± 0.03°
• γ: 78.86 ± 0.03°
• Cell volume: 3439.1 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No