Information card for entry 7224763

Structure parameters

• Formula: C80 H64 N2 Nd2 O12
• Calculated formula: C80 H64 N2 Nd2 O12
• SMILES: [Nd]1234([O](c5cccc6ccc[n]1c56)[Nd]156([O]2c2cccc7ccc[n]1c27)(OC(=CC(=[O]6)c1ccccc1)c1ccccc1)([O]=C(c1ccccc1)C=C(O5)c1ccccc1)[OH]C)([O]=C(c1ccccc1)C=C(O3)c1ccccc1)(OC(=CC(=[O]4)c1ccccc1)c1ccccc1)[OH]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: 10.398 ± 0.002 Å
• b: 15.38 ± 0.003 Å
• c: 21.47 ± 0.004 Å
• α: 100.71 ± 0.03°
• β: 91.19 ± 0.03°
• γ: 98.85 ± 0.03°
• Cell volume: 3329.2 ± 1.2 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: 0.0445
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No