Information card for entry 4350060

Structure parameters

• Formula: C40 H28 Br6 Cl Dy N4 O3
• Calculated formula: C40 H28 Br6 Cl Dy N4 O3
• SMILES: [Dy]123(Cl)(Oc4c(Br)cc(Br)c5c4[n]2c(cc5)C)(Oc2c4[n]1c(ccc4c(Br)cc2Br)C)Oc1c2[n]3c(ccc2c(Br)cc1Br)C.[nH+]1c(C)ccc2c1cccc2
• Title of publication: A series of dysprosium-based hydrogen-bonded organic frameworks (Dy‒HOFs): thermally triggered off →on conversion of a single-ion magnet
• Authors of publication: Wang, Hai-Ling; Ma, Xiong-Feng; Zhu, Zhong-Hong; Zhang, Yi-Quan; Zou, Hua-Hong; Liang, Fu-Pei
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 2906
• a: 17.7059 ± 0.0006 Å
• b: 18.3642 ± 0.0004 Å
• c: 13.6199 ± 0.0004 Å
• α: 90°
• β: 111.014 ± 0.004°
• γ: 90°
• Cell volume: 4134 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.05
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No