Information card for entry 7227173

Structure parameters

• Formula: C24 H33 N4 O12 Y Zn
• Calculated formula: C24 H33 N4 O12 Y Zn
• SMILES: [Y]123456([O]7[Zn]89([O]3c3c([O]4C)cc(cc3C[N]8(C)CC[N]9(Cc3cc(cc([O]2C)c37)C)C)C)[O]=C(O1)C)(ON(=O)=[O]6)ON(=O)=[O]5
• 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: 11.2871 ± 0.0003 Å
• b: 11.6719 ± 0.0004 Å
• c: 25.6378 ± 0.0006 Å
• α: 82.855 ± 0.002°
• β: 79.874 ± 0.002°
• γ: 63.094 ± 0.003°
• Cell volume: 2961.17 ± 0.17 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: 0.0393
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No