Information card for entry 7218232

Structure parameters

• Formula: C96 H58 F60 Gd4 N12 O24
• Calculated formula: C96 H58 F60 Gd4 N12 O24
• SMILES: [Gd]1234([n]5c(C=[N]1CC[N]1=Cc6cccc[n]6[Gd]6781([O]=C(C)O[Gd]19%10%11%12([n]%13c(C=[N]1CC[N]9=Cc1cccc[n]%101)cccc%13)(OC(=CC(C(F)(F)F)=[O]%11)C(F)(F)F)[O]=C(C=C(C(F)(F)F)O%12)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O6)C(F)(F)F)([O]=C(C=C(C(F)(F)F)O8)C(F)(F)F)OC(=CC(C(F)(F)F)=[O]7)C(F)(F)F)cccc5)([O]=C(C)O[Gd]15678([n]9c(C=[N]1CC[N]5=Cc1cccc[n]61)cccc9)(OC(=CC(C(F)(F)F)=[O]7)C(F)(F)F)[O]=C(C=C(C(F)(F)F)O8)C(F)(F)F)(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)(OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F)OC(=CC(C(F)(F)F)=[O]3)C(F)(F)F
• 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: 17.701 ± 0.0005 Å
• b: 19.2428 ± 0.0004 Å
• c: 23.1401 ± 0.0007 Å
• α: 67.657 ± 0.002°
• β: 83.186 ± 0.002°
• γ: 63.229 ± 0.002°
• Cell volume: 6495.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No