Information card for entry 4347492

Structure parameters

• Formula: C36 H55 Br2 Cl Dy N6 O12 Zn2
• Calculated formula: C36 H53 Br2 Cl Dy N6 O12 Zn2
• Title of publication: Effect of Ligand Substitution around the Dy(III) on the SMM Properties of Dual-Luminescent Zn-Dy and Zn-Dy-Zn Complexes with Large Anisotropy Energy Barriers: A Combined Theoretical and Experimental Magnetostructural Study.
• Authors of publication: Costes, Jean Pierre; Titos-Padilla, Silvia; Oyarzabal, Itziar; Gupta, Tulika; Duhayon, Carine; Rajaraman, Gopalan; Colacio, Enrique
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4428 - 4440
• a: 8.39264 ± 0.00012 Å
• b: 29.4811 ± 0.0005 Å
• c: 20.2037 ± 0.0003 Å
• α: 90°
• β: 93.7377 ± 0.0013°
• γ: 90°
• Cell volume: 4988.25 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.0828
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No