Information card for entry 7229801

Structure parameters

• Formula: C64 H92 Dy2 N2 O11
• Calculated formula: C64 H92 Dy2 N2 O11
• SMILES: [Dy]12345([O]6[Dy]78([O]1c1ccccc1C=[N]2c1c([N]5=Cc2c6cccc2)cccc1)([O]=C(C=C(O7)C(C)(C)C)C(C)(C)C)(OC(=CC(=[O]8)C(C)(C)C)C(C)(C)C)[OH2])(OC(=CC(=[O]3)C(C)(C)C)C(C)(C)C)OC(=CC(=[O]4)C(C)(C)C)C(C)(C)C
• Title of publication: A series of salen-type asymmetric dinuclear Dy(iii) complexes: site-resolved two-step magnetic relaxation process
• Authors of publication: Zhang, Wan-Ying; Chen, Peng; Tian, Yong-Mei; Li, Hong-Feng; Sun, Wen-Bin; Yan, Peng-Fei
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 6
• Pages of publication: 777
• a: 10.9106 ± 0.0003 Å
• b: 15.6456 ± 0.0004 Å
• c: 21.7835 ± 0.0006 Å
• α: 99.568 ± 0.002°
• β: 101.358 ± 0.002°
• γ: 103.932 ± 0.002°
• Cell volume: 3448.11 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No