Information card for entry 7036950

Structure parameters

• Formula: C68 H92 Co2 N4 O22 P6 Y2
• Calculated formula: C68 H92 Co2 N4 O22 P6 Y2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Co]162345[P](OCC)(OCC)O[Y]234([N](=Cc5ccccc5O3)c3c([N]2=Cc2ccccc2O4)cc2[N]4[Y]578([N](=Cc9ccccc9O8)c2c3)(O[P](OCC)(OCC)[Co]2389([cH]%10[cH]9[cH]8[cH]3[cH]2%10)([P](OCC)(OCC)O5)[P](OCC)(OCC)O7)Oc2c(C=4)cccc2)(O[P]1(OCC)OCC)O[P]6(OCC)OCC
• Title of publication: Syntheses, structures, and magnetic properties of homodinuclear lanthanide complexes based on dinucleating Schiff base ligands.
• Authors of publication: Gao, Feng; Yang, Feng-Lei; Zhu, Guang-Zhou; Zhao, Yue
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 20232 - 20241
• a: 16.8336 ± 0.0015 Å
• b: 15.6695 ± 0.0014 Å
• c: 18.0357 ± 0.0012 Å
• α: 90°
• β: 104.523 ± 0.002°
• γ: 90°
• Cell volume: 4605.3 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No