Information card for entry 4326993

Structure parameters

• Formula: C66 H58 Cs Dy N2 O10
• Calculated formula: C66 H58 Cs Dy N2 O10
• SMILES: c1ccccc1C1=[O][Dy]234([O]=C(c5ccccc5)C=C(O4)c4ccccc4)(OC(=CC(=[O]3)c3ccccc3)c3ccccc3)([O]=C(c3ccccc3)C=C(O2)c2ccccc2)OC(=C1)c1ccccc1.[Cs+].N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Novel Lanthanide-Based Polymeric Chains and Corresponding Ultrafast Dynamics in Solution
• Authors of publication: Dominique T. Thielemann; Melanie Klinger; Thomas J. A. Wolf; Yanhua Lan; Wolfgang Wernsdorfer; Madleen Busse; Peter W. Roesky; Andreas N. Unterreiner; Annie K. Powell; Peter C. Junk; Glen B. Deacon
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11990 - 12000
• a: 30.068 ± 0.006 Å
• b: 7.9123 ± 0.0016 Å
• c: 25.811 ± 0.005 Å
• α: 90°
• β: 113.84 ± 0.03°
• γ: 90°
• Cell volume: 5617 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.2819
• Weighted residual factors for all reflections included in the refinement: 0.288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No