Information card for entry 7039278

Structure parameters

• Formula: C24 H26 Br2 N5 O12 Tb Zn
• Calculated formula: C24 H26 Br2 N5 O12 Tb Zn
• SMILES: [Tb]123456([O]7[Zn]89([O]1c1c(C=[O]3)cc(Br)cc1C[N]8(CC[N]9(C)Cc1c7c(C=[O]5)cc(Br)c1)C)OC(=[O]4)C)(ON(=[O]2)=O)ON(=[O]6)=O.CC#N
• Title of publication: A family of acetato-diphenoxo triply bridged dimetallic Zn(II)Ln(III) complexes: SMM behavior and luminescent properties.
• Authors of publication: Oyarzabal, Itziar; Artetxe, Beñat; Rodríguez-Diéguez, Antonio; García, JoséÁngel; Seco, José Manuel; Colacio, Enrique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9712 - 9726
• a: 13.5017 ± 0.0006 Å
• b: 14.7618 ± 0.0004 Å
• c: 15.9579 ± 0.0006 Å
• α: 90°
• β: 91.315 ± 0.004°
• γ: 90°
• Cell volume: 3179.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No