Information card for entry 7128623

Structure parameters

• Formula: C20 H27 Dy N4 O6
• Calculated formula: C20 H27 Dy N4 O6
• SMILES: [Dy]1234([n]5cccnc5C(=[NH]1)N)([O]=C(C)C=C(C)O2)([O]=C(C)C=C(C)O3)[O]=C(C)C=C(C)O4
• Title of publication: Probing optical and magnetic properties <i>via</i> subtle stereoelectronic effects in mononuclear Dy^III-complexes.
• Authors of publication: Kitos, Alexandros A.; Gálico, Diogo A; Mavragani, Niki; Castañeda, Raúl; Moilanen, Jani O.; Brusso, Jaclyn L.; Murugesu, Muralee
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 63
• Pages of publication: 7818 - 7821
• a: 9.827 ± 0.0009 Å
• b: 12.6308 ± 0.001 Å
• c: 19.5062 ± 0.0018 Å
• α: 90°
• β: 100.309 ± 0.003°
• γ: 90°
• Cell volume: 2382.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No