Information card for entry 7059944

Structure parameters

• Formula: C62 H61 Cl2 Dy Mn4 N8 O17
• Calculated formula: C62 H61 Cl2 Dy Mn4 N8 O17
• SMILES: c12ccccc1C=[N]1C(C[O]3[Dy]456789[O]%10C%11%12c%13cccc[n]%13[Mn]13%10([Cl][Mn]13%10([n]%13c(C%14(c%15cccc[n]%15[Mn]%15%16([Cl][Mn]%17%18([n]%19c%11cccc%19)([N](=Cc%11c(cccc%11)O%17)C(C[O]5%18)CO)[O]4%12)([N](=Cc4c(cccc4)O%15)C(C[O]6%16)CO)[O]7%14)[O]81)cccc%13)[N](=Cc1c(cccc1)O3)C(C[O]9%10)CO)O2)CO.[OH-]
• Title of publication: Modulating the structural topologies and magnetic relaxation behaviour of the Mn–Dy compounds by using different auxiliary organic ligands
• Authors of publication: Wang, Hui-Sheng; Chen, Yong; Hu, Zhao-Bo; Zhang, Ke; Zhang, Zaichao; Song, You; Pan, Zhi-Quan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 38
• Pages of publication: 16302 - 16310
• a: 25.1051 ± 0.0011 Å
• b: 26.7821 ± 0.0009 Å
• c: 22.7889 ± 0.001 Å
• α: 90°
• β: 100.298 ± 0.002°
• γ: 90°
• Cell volume: 15075.7 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1341
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.2016
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No