Information card for entry 7710255

Structure parameters

• Formula: C64 H71 N6 O24 Sm Zn2
• Calculated formula: C62 H59 N6 O20 Sm Zn2
• SMILES: [Sm]1234567([O]8[Zn]9%10%11([O]1c1c(C=[N]9c9c(cccc9)C[OH]%10)cccc1[O]4C)[OH]Cc1c([N]%11=Cc4c8c([O]2C)ccc4)cccc1)([O]1[Zn]249([O]3c3c(cccc3[O]5C)C=[N]4c3c(C[OH]2)cccc3)[OH]Cc2ccccc2[N]9=Cc2c1c([O]6C)ccc2)[O]=C(O7)C.O=N(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Zero-Field Slow Magnetic Relaxation Behavior of Zn2Dy in a Family of Trinuclear Near Linear Zn2Ln Complexes: Synthesis, Experimental and Theoretical Investigations
• Authors of publication: Ahmed, Naushad; Ansari, Kamal Uddin
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.7211 ± 0.001 Å
• b: 13.1975 ± 0.0011 Å
• c: 21.9778 ± 0.0012 Å
• α: 85.982 ± 0.006°
• β: 87.403 ± 0.005°
• γ: 61.234 ± 0.009°
• Cell volume: 3226.2 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150.15 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: 0.0867
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No