Information card for entry 7042106

Structure parameters

• Formula: C88 H104 N8 O8 Tb2
• Calculated formula: C88 H104 N8 O8 Tb2
• SMILES: CC(C)(C)C1=CC(C(C)(C)C)=[O][Tb]2345([n]67c8=Nc9[n]%103c(=Nc3c%11ccccc%11c%11[n]23[Tb]236%10([n]64c(N=c7c4c8cccc4)c4c(c6=N%11)cccc4)(OC(=CC(C(C)(C)C)=[O]2)C(C)(C)C)[O]=C(C(C)(C)C)C=C(O3)C(C)(C)C)c2c9cccc2)(O1)OC(=CC(=[O]5)C(C)(C)C)C(C)(C)C.c1ccccc1.c1ccccc1
• Title of publication: Phthalocyanine supported dinuclear Ln(III) complexes: the solvent-induced change of magnetic properties in dysprosium(iii) analogues.
• Authors of publication: Ge, Jing-Yuan; Wang, Hai-Ying; Li, Jing; Xie, Jia-Ze; Song, You; Zuo, Jing-Lin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3353 - 3362
• a: 19.569 ± 0.002 Å
• b: 17.829 ± 0.002 Å
• c: 15.0637 ± 0.0015 Å
• α: 90°
• β: 126.146 ± 0.003°
• γ: 90°
• Cell volume: 4244 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No