Information card for entry 7036503

Structure parameters

• Formula: C40 H39 La N8 O11 S2 Zn2
• Calculated formula: C40 H39 La N8 O11 S2 Zn2
• SMILES: [La]1234567([O]8[Zn]9%10([O]2c2c([O]1C)cccc2C=[N]9CC[N]%10=Cc1cccc([O]3C)c18)N=C=S)([O](C)c1cccc2c1[O]4[Zn]13([O]6c4c(C=[N]3CC[N]1=C2)cccc4[O]7C)N=C=S)[O]=N(O5)=O.N#CC
• Title of publication: Structural switching from paramagnetic to single-molecule magnet behaviour of LnZn2 trinuclear complexes.
• Authors of publication: Then, Poh Ling; Takehara, Chika; 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: 18038 - 18048
• a: 12.0878 ± 0.0015 Å
• b: 12.6225 ± 0.0018 Å
• c: 16.365 ± 0.003 Å
• α: 87.529 ± 0.007°
• β: 69.44 ± 0.005°
• γ: 70.545 ± 0.005°
• Cell volume: 2196.7 ± 0.6 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: 0.0592
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No