Information card for entry 7035003

Structure parameters

• Formula: C38 H46 Gd2 N8 O14
• Calculated formula: C38 H46 Gd2 N8 O14
• SMILES: N1(=[O][Gd]234([O]=CN(C)C)([N](=Cc5ccccc5O4)c4c(cccc4)[O]2[Gd]245([N](=Cc6ccccc6O4)c4c(cccc4)[O]32)(ON(=[O]5)=O)([O]=CN(C)C)[O]=CN(C)C)(O1)[O]=CN(C)C)=O
• Title of publication: A family of dinuclear lanthanide(iii) complexes from the use of a tridentate Schiff base.
• Authors of publication: Anastasiadis, Nikolaos C.; Kalofolias, Dimitris A.; Philippidis, Aggelos; Tzani, Sofia; Raptopoulou, Catherine P.; Psycharis, Vassilis; Milios, Constantinos J.; Escuer, Albert; Perlepes, Spyros P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10200 - 10209
• a: 12.3327 ± 0.0002 Å
• b: 14.0747 ± 0.0003 Å
• c: 12.6772 ± 0.0002 Å
• α: 90°
• β: 91.259 ± 0.001°
• γ: 90°
• Cell volume: 2199.97 ± 0.07 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No