Information card for entry 7218229

Structure parameters

• Formula: C29 H17 F18 N4 Nd O6
• Calculated formula: C29 H17 F18 N4 Nd O6
• SMILES: [Nd]123456(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O3)C(F)(F)F)C(F)(F)F)[n]1c(cccc1)C=[N]5CC[N]6=Cc1[n]4cccc1
• Title of publication: A series of lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands
• Authors of publication: Sun, Ou; Gao, Ting; Sun, Jingwen; Li, Guangming; Li, Hongfeng; Xu, Hui; Wang, Cheng; Yan, Pengfei
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 45
• Pages of publication: 10460
• a: 16.99 ± 0.003 Å
• b: 18.475 ± 0.004 Å
• c: 11.966 ± 0.002 Å
• α: 90°
• β: 92.92 ± 0.03°
• γ: 90°
• Cell volume: 3751.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No