Information card for entry 7036629

Structure parameters

• Formula: C40 H39 N8 O11 Pr S2 Zn2
• Calculated formula: C40 H39 N8 O11 Pr S2 Zn2
• SMILES: [Pr]1234567([O]8[Zn]9%10([O]6c6c([O]5C)cccc6C=[N]%10CC[N]9=Cc5cccc([O]7C)c58)N=C=S)([O]=N(=O)O1)[O](C)c1cccc5c1[O]2[Zn]12([O]3c3c(C=[N]2CC[N]1=C5)cccc3[O]4C)N=C=S.N#CC
• Title of publication: Slow magnetic relaxation of light lanthanide-based linear LnZn2 trinuclear complexes.
• Authors of publication: Takehara, Chika; Then, Poh Ling; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 18276 - 18283
• a: 12.0853 ± 0.0011 Å
• b: 12.5724 ± 0.0014 Å
• c: 16.3404 ± 0.0017 Å
• α: 87.928 ± 0.004°
• β: 69.558 ± 0.003°
• γ: 70.611 ± 0.003°
• Cell volume: 2185.5 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No