Information card for entry 7039280

Structure parameters

• Formula: C24 H26 Br2 Er N5 O12 Zn
• Calculated formula: C24 H26 Br2 Er N5 O12 Zn
• SMILES: [Zn]1234[O]5[Er]6789([O]=Cc%10c5c(cc(Br)c%10)C[N]1(C)CC[N]2(C)Cc1c(c(cc(Br)c1)C=[O]8)[O]47)(ON(=[O]9)=O)(ON(=[O]6)=O)[O]=C(C)O3.C(#N)C
• 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: 13.5236 ± 0.0002 Å
• b: 14.7278 ± 0.0017 Å
• c: 15.9106 ± 0.0002 Å
• α: 90°
• β: 91.294 ± 0.002°
• γ: 90°
• Cell volume: 3168.2 ± 0.4 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: 0.0295
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No