Information card for entry 4337301

Structure parameters

• Formula: C27 H47 N6 Nd O16 Zn
• Calculated formula: C27 H47 N6 Nd O16 Zn
• SMILES: [Zn]1234([N]5(Cc6c7c(cc(c6)C)[O]([Nd]689%10([O]37)([O]4c3c(C[N]2(CC[N]1(CC5)C)C)cc(cc3[O]6C)C)(ON(=[O]8)=O)([O]=N(=O)O%10)ON(=[O]9)=O)C)C)[OH2].CO.CO
• 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: 18.288 ± 0.005 Å
• b: 13.04 ± 0.005 Å
• c: 17.534 ± 0.005 Å
• α: 90 ± 0.005°
• β: 116.03 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3757 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No