Information card for entry 4337299

Structure parameters

• Formula: C27 H40 N5 O12 Yb Zn
• Calculated formula: C27 H40 N5 O12 Yb Zn
• SMILES: [Zn]12345[O]6[Yb]789%10([O]5c5c(C[N]3(CC[N]2(CC[N]1(Cc1c6c(cc(c1)C)[O]7C)C)C)C)cc(cc5[O]%10C)C)(ON(=[O]9)=O)(ON(=[O]8)=O)[O]=C(C)O4
• 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: 11.3197 ± 0.0007 Å
• b: 14.5238 ± 0.0009 Å
• c: 20.1539 ± 0.0012 Å
• α: 90°
• β: 101.791 ± 0.001°
• γ: 90°
• Cell volume: 3243.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No