Information card for entry 7036947

Structure parameters

• Formula: C74 H92 Cl4 Co2 N4 O22 P6 Tb2
• Calculated formula: C74 H92 Cl4 Co2 N4 O22 P6 Tb2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Co]162345[P](OCC)(OCC)O[Tb]234([N](=Cc5cc(ccc5O3)Cl)c3cc(ccc3[N]2=Cc2cc(ccc2O4)Cl)c2ccc3c(c2)[N]2=Cc4cc(ccc4O[Tb]4572([N]3=Cc2cc(ccc2O7)Cl)O[P]([Co]2378([cH]9[cH]8[cH]7[cH]3[cH]29)([P](OCC)(OCC)O4)[P](OCC)(OCC)O5)(OCC)OCC)Cl)(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: 17.1964 ± 0.0013 Å
• b: 18.5225 ± 0.0014 Å
• c: 18.7909 ± 0.0012 Å
• α: 68.123 ± 0.001°
• β: 82.766 ± 0.001°
• γ: 73.739 ± 0.002°
• Cell volume: 5330.5 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No