Information card for entry 7038859

Structure parameters

• Formula: C76 H44 Cl12 F18 N6 O14 S6 Tb2
• Calculated formula: C76 H44 Cl12 F18 N6 O14 S6 Tb2
• SMILES: FC(F)(F)C1=[O][Tb]234(OC(c5sccc5)=CC(=[O]2)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)c2sccc2)(OC(=C1)c1cccs1)[O](=n1cc(ccc1)C(c1ccccc1)=N#N)[Tb]123(OC(c5sccc5)=CC(=[O]1)C(F)(F)F)([O]=C(C=C(O2)c1sccc1)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)c1sccc1)[O]4=n1cc(ccc1)C(c1ccccc1)=N#N.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: 3- and 4-(α-diazobenzyl)pyridine-N-oxides as photoresponsive magnetic couplers for 2p-4f heterospin systems: formation of carbene-Tb(III) and carbene-Dy(III) single-molecule magnets.
• Authors of publication: Murashima, Kensuke; Karasawa, Satoru; Yoza, Kenji; Inagaki, Yuji; Koga, Noboru
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 7067 - 7077
• a: 12.697 ± 0.003 Å
• b: 13.7 ± 0.003 Å
• c: 13.882 ± 0.003 Å
• α: 100.957 ± 0.003°
• β: 101.137 ± 0.003°
• γ: 93.548 ± 0.003°
• Cell volume: 2313.9 ± 0.9 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0895
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1944
• Weighted residual factors for all reflections included in the refinement: 0.2125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No