Information card for entry 4338041

Structure parameters

• Formula: C25 H37 N6 O13 Yb Zn
• Calculated formula: C25 H37 N6 O13 Yb Zn
• SMILES: [Zn]12345[O]6[Yb]789%10([O]4c4c(cc(C)cc4[O]7C)C[N]1(C)CC[N]2(C)CC[N]3(C)Cc1c6c(cc(C)c1)[O]%10C)(ON(=[O]8)=O)(ON(=[O]9)=O)ON(=[O]5)=O
• Title of publication: Closely-Related Zn(II)2Ln(III)2 Complexes (Ln(III) = Gd, Yb) with Either Magnetic Refrigerant or Luminescent Single-Molecule Magnet Properties.
• Authors of publication: Ruiz, José; Lorusso, Giulia; Evangelisti, Marco; Brechin, Euan K.; Pope, Simon J. A.; Colacio, Enrique
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3586
• a: 10.7318 ± 0.0001 Å
• b: 15.8327 ± 0.0001 Å
• c: 17.8712 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3036.56 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0177
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.0367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No