Information card for entry 4337306

Structure parameters

• Formula: C61 H64 N7 O11 Yb Zn
• Calculated formula: C61 H64 N7 O11 Yb Zn
• SMILES: [Zn]12345[O]6[Yb]789%10([O]4c4c(cc(cc4C[N]1(C)CC[N]2(C)CC[N]3(C)Cc1c6c(cc(C)c1)[O]%10C)C)[O]7C)(ON(=[O]9)=O)([O]=C(c1c2ccccc2cc2ccccc12)O8)[O]=C(c1c2ccccc2cc2ccccc12)O5.C(#N)C.C(#N)C.N#CC
• Title of publication: Bifunctional Zn(II)Ln(III) Dinuclear Complexes Combining Field Induced SMM Behavior and Luminescence: Enhanced NIR Lanthanide Emission by 9-Anthracene Carboxylate Bridging Ligands.
• Authors of publication: Palacios, María A; Titos-Padilla, Silvia; Ruiz, José; Herrera, Juan Manuel; Pope, Simon J. A.; Brechin, Euan K.; Colacio, Enrique
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1465 - 1474
• a: 22.4764 ± 0.0012 Å
• b: 12.8315 ± 0.0007 Å
• c: 19.7813 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5705 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No