Information card for entry 7016924

Structure parameters

• Formula: C85 H57 Dy3 N6 O21
• Calculated formula: C85 H57 Dy3 N6 O21
• SMILES: [Dy]12345([n]6cccc7ccc8ccc[n]1c8c67)([O]=C(c1ccccc1O)O[Dy]1678([O]=C(c9ccccc9O)O3)([O]=C(c3ccccc3O5)[O]41)OC(c1ccccc1O)=[O][Dy]134([n]5cccc9ccc%10ccc[n]1c%10c59)([n]1cccc5ccc9ccc[n]3c9c15)([O]7C(c1ccccc1O4)=[O]6)[O]=C(c1ccccc1O)O8)[O]=C(c1ccccc1O)O2
• Title of publication: A luminescent linear trinuclear Dy(III) complex exhibiting slow magnetic relaxation of single ion origin.
• Authors of publication: Liu, Chun-Sen; Du, Miao; Sañudo, E Carolina; Echeverria, Jorge; Hu, Min; Zhang, Qiang; Zhou, Li-Ming; Fang, Shao-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 37
• Pages of publication: 9366 - 9369
• a: 14.2574 ± 0.0007 Å
• b: 23.3393 ± 0.001 Å
• c: 23.6971 ± 0.0014 Å
• α: 90°
• β: 103.294 ± 0.006°
• γ: 90°
• Cell volume: 7674.1 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.07
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No