Information card for entry 7225098

Structure parameters

• Formula: C104 H80 N4 O14 Sm2
• Calculated formula: C104 H80 N4 O14 Sm2
• SMILES: C1(=CC(c2ccccc2)=[O][Sm]234([N](=Cc5[n]2cccc5)CC[N]2=Cc5[n](cccc5)[Sm]5672([O]=C(C=C(c2ccccc2)O5)c2ccccc2)([O]=C(C=C(O6)c2ccccc2)c2ccccc2)OC(=CC(=[O]7)c2ccccc2)c2ccccc2)(O1)([O]=C(C=C(O3)c1ccccc1)c1ccccc1)OC(=CC(=[O]4)c1ccccc1)c1ccccc1)c1ccccc1.O.O
• Title of publication: A series of dinuclear lanthanide(iii) complexes constructed from Schiff base and β-diketonate ligands: synthesis, structure, luminescence and SMM behavior
• Authors of publication: Sun, Ou; Chen, Peng; Li, Hong-Feng; Gao, Ting; Sun, Wen-Bin; Li, Guang-Ming; Yan, Peng-Fei
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 4627
• a: 13.2798 ± 0.0005 Å
• b: 13.6291 ± 0.0005 Å
• c: 14.1655 ± 0.0004 Å
• α: 85.823 ± 0.003°
• β: 88.506 ± 0.003°
• γ: 63.048 ± 0.004°
• Cell volume: 2279.23 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0537
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No