Information card for entry 4350058

Structure parameters

• Formula: C45 H35 Br6 Dy N5 O4
• Calculated formula: C45 H35 Br6 Dy N5 O4
• SMILES: [Dy]123(Oc4c5[n]1c(C)ccc5c(Br)cc4Br)([OH]c1c4[n]2c(C)ccc4c(Br)cc1Br)(Oc1c2[n]3c(ccc2c(Br)cc1Br)C)[OH]C.n1c2c3nc(C)ccc3ccc2ccc1C
• 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: 18.39 ± 0.04 Å
• b: 11.17 ± 0.02 Å
• c: 25.9 ± 0.05 Å
• α: 90°
• β: 108.69 ± 0.03°
• γ: 90°
• Cell volume: 5040 ± 17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0654
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No