Information card for entry 7053208

Structure parameters

• Formula: C46 H60 Gd2 N4 O14
• Calculated formula: C46 H60 Gd2 N4 O14
• SMILES: CC1=CC(C)=[O][Gd]234([O](c5ccccc5C5N(O4)C(C(N=5=O)(C)C)(C)C)[Gd]456(OC(=CC(C)=[O]4)C)(OC(=CC(=[O]5)C)C)[O]3c3ccccc3C3N(O6)C(C(N=3=O)(C)C)(C)C)(O1)OC(=CC(=[O]2)C)C
• Title of publication: Dinuclear lanthanide complexes bridged by nitronyl nitroxide radical ligands with 2-phenolate groups: structure and magnetic properties
• Authors of publication: Mei, Xuelan; Wang, Xiufeng; Wang, Juanjuan; Ma, Yue; Li, Licun; Liao, Daizheng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 11
• Pages of publication: 3620
• a: 10.484 ± 0.006 Å
• b: 11.287 ± 0.007 Å
• c: 11.799 ± 0.007 Å
• α: 103.69 ± 0.004°
• β: 98.754 ± 0.003°
• γ: 114.763 ± 0.006°
• Cell volume: 1180.8 ± 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: 0.0471
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No