Information card for entry 7056496

Structure parameters

• Formula: C84 H58 N6 O8 Yb2
• Calculated formula: C84 H54 N6 O8 Yb2
• SMILES: [Yb]123456([O]7[Yb]89%10([O]2c2c(c%11c(cc2)cccc%11)C=[N]3c2c([N]6=Cc3c7ccc6c3cccc6)cccc2)(Oc2ccc3c(c2C=[N]%10c2c([N]8=Cc6c(O9)ccc7c6cccc7)cccc2)cccc3)[OH2])Oc2c(C=[N]4c3ccccc3[N]5=Cc3c(O1)ccc1c3cccc1)c1c(cc2)cccc1.O
• Title of publication: Double decker luminescent Ytterbium and Erbium SMMs with symmetric and asymmetric Schiff base ligands
• Authors of publication: Gholizadeh Dogaheh, Samira; Khanmohammadi, Hamid; Sañudo, E. Carolina
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 10101 - 10111
• a: 10.4575 ± 0.0004 Å
• b: 18.0686 ± 0.0006 Å
• c: 18.4181 ± 0.0006 Å
• α: 66.674 ± 0.002°
• β: 73.605 ± 0.002°
• γ: 85.41 ± 0.002°
• Cell volume: 3063.77 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No