Information card for entry 4337297

Structure parameters

• Formula: C27 H40 N5 O12 Tb Zn
• Calculated formula: C27 H40 N5 O12 Tb Zn
• SMILES: [Tb]123456([O]7[Zn]89%10([O]2c2c(cc(C)cc2[O]1C)C[N]%10(C)CC[N]8(C)CC[N]9(C)Cc1c7c([O]4C)cc(C)c1)[O]=C(C)O5)([O]=N(O3)=O)ON(=[O]6)=O
• 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: 11.45081 ± 0.00014 Å
• b: 14.77726 ± 0.00018 Å
• c: 19.3346 ± 0.0002 Å
• α: 92.6221 ± 0.001°
• β: 98.4836 ± 0.001°
• γ: 90.988 ± 0.001°
• Cell volume: 3231.5 ± 0.07 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: 0.0363
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No