Information card for entry 7021458

Structure parameters

• Formula: C72 H84 Cl4 Gd2 N14 O28
• Calculated formula: C72 H84 Cl4 Gd2 N14 O28
• SMILES: c1(ccccc1/C=[NH+]/CCC/[NH+]=C/c1c([O-])cccc1)O[Gd]1234(Oc5ccccc5/C=[NH+]/CCC/[NH+]=C/c5ccccc5O[Gd]567(Oc8ccccc8/C=[NH+]/CCC/[NH+]=C/c8ccccc8[O-])(Oc8ccccc8/C=[NH+]/CCC/[NH+]=Cc8ccccc8O4)([O]=N(=O)O5)([O]=N(=O)O6)ON(=O)=[O]7)([O]=N(=O)O1)([O]=N(=O)O2)ON(=O)=[O]3.C(Cl)Cl.OC.C(Cl)Cl.CO
• Title of publication: Systematic study on the structures of salen type lanthanide complexes tuned by lanthanide contraction and corresponding luminescence.
• Authors of publication: Zou, Xiaoyan; Li, Mingjie; Yan, Pengfei; Zhang, Juwen; Hou, Guangfeng; Li, Guangming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 26
• Pages of publication: 9482 - 9489
• a: 10.948 ± 0.004 Å
• b: 10.978 ± 0.003 Å
• c: 18.649 ± 0.008 Å
• α: 91.97 ± 0.014°
• β: 106.73 ± 0.014°
• γ: 92.56 ± 0.012°
• Cell volume: 2141.7 ± 1.4 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: 0.0702
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No