Information card for entry 4337308

Structure parameters

• Formula: C44 H62 N4 Nd O13 Zn
• Calculated formula: C44 H62 N4 Nd O13 Zn
• SMILES: [Zn]12345[O]6[Nd]789([O](C)c%10c(c(cc(C)c%10)C[N]1(C)CC[N]2(C)CC[N]3(C)Cc1c6c(cc(C)c1)[O]9C)[O]47)(ON(=[O]8)=O)([O]=C(c1c2ccccc2cc2ccccc12)O5)([OH]C)[OH]C.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: 12.051 ± 0.005 Å
• b: 12.325 ± 0.005 Å
• c: 17.328 ± 0.005 Å
• α: 74.587 ± 0.005°
• β: 86.073 ± 0.005°
• γ: 83.022 ± 0.005°
• Cell volume: 2461 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No