Information card for entry 1564065

Structure parameters

• Formula: C50 H64 Cl8 F12 Gd2 N4 O16 P2
• Calculated formula: C50 H64 Cl8 F12 Gd2 N4 O16 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[O]1(c2c3c(ccc2)C=[NH+]CCC[NH+]=Cc2c4c(ccc2)[O]([Gd]25671([O]=C(O[Gd]189%10([O]=C(O7)C)([O]2C(=[O]8)C)([O]5C(=[O]6)C)Oc2c(cccc2[O]%10C)C=[NH+]CCC[NH+]=Cc2c(O9)c([O]1C)ccc2)C)(O4)O3)C)C.C(Cl)Cl.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: Luminescence and structure of a family of salen type dinuclear lanthanide complexes
• Authors of publication: Zou, Xiaoyan; Du, Chenyu; Dong, Yanping; Li, Guangming
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 512
• Pages of publication: 119860
• a: 12.2665 ± 0.0008 Å
• b: 23.2104 ± 0.0016 Å
• c: 15.2805 ± 0.0008 Å
• α: 90°
• β: 126.165 ± 0.004°
• γ: 90°
• Cell volume: 3512.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No