Information card for entry 7227175

Structure parameters

• Formula: C24 H33 Er N4 O12 Zn
• Calculated formula: C24 H33 Er N4 O12 Zn
• SMILES: [Er]123456([O]7[Zn]89([O]2c2c([O]1C)cc(cc2C[N]8(CC[N]9(Cc1c7c([O]3C)cc(c1)C)C)C)C)[O]=C(O5)C)(ON(=[O]6)=O)ON(=O)=[O]4
• Title of publication: Rational design of triple-bridged dinuclear ZnIILnIII-based complexes: a structural, magnetic and luminescence study
• Authors of publication: Zabala-Lekuona, A.; Cepeda, J.; Oyarzabal, I.; Rodríguez-Diéguez, A.; García, J. A.; Seco, J. M.; Colacio, E.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 2
• Pages of publication: 256
• a: 11.278 ± 0.0004 Å
• b: 11.665 ± 0.0005 Å
• c: 25.6084 ± 0.0008 Å
• α: 82.789 ± 0.003°
• β: 79.834 ± 0.003°
• γ: 63.148 ± 0.004°
• Cell volume: 2954.5 ± 0.2 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: 0.0313
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No