Information card for entry 7704858

Structure parameters

• Formula: C38 H40 Br0.08 Dy N2.92 O16.75 Zn2
• Calculated formula: C38 H40 Br0.0845 Dy N2.916 O16.748 Zn2
• Title of publication: Influence of anion induced geometry change in Zn(ii) on the magnetization relaxation dynamics of Dy(iii) in Zn-Dy-Zn complexes.
• Authors of publication: Shukla, Pragya; Ansari, Kamal Uddin; Gao, Chen; Vaidya, Shefali; Tripathi, Shalini; Kumar, Pardeep; Butcher, Ray J.; Overgaard, Jacob; Shanmugam, Maheswaran
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 30
• Pages of publication: 10580 - 10593
• a: 15.7095 ± 0.0004 Å
• b: 27.2107 ± 0.0009 Å
• c: 20.1686 ± 0.0005 Å
• α: 90°
• β: 99.605 ± 0.002°
• γ: 90°
• Cell volume: 8500.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No