Information card for entry 7715454

Structure parameters

• Formula: C74 H63 Gd2 N13 O25 Zn2
• Calculated formula: C74 H63 Gd2 N13 O25 Zn2
• Title of publication: Effect of diamagnetic Zn(II) ions on the SMM properties of a series of trinuclear ZnDy₂ and tetranuclear Zn₂Dy₂ (Ln^III = Dy, Tb, Gd) complexes: combined experimental and theoretical studies.
• Authors of publication: Shukla, Pooja; Tarannum, Ibtesham; Roy, Soumalya; Rajput, Amit; Lama, Prem; Singh, Saurabh Kumar; Kłak, Julia; Lee, Junseong; Das, Sourav
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 7053 - 7066
• a: 36.348 ± 0.002 Å
• b: 12.6844 ± 0.0007 Å
• c: 19.898 ± 0.0011 Å
• α: 90°
• β: 118.758 ± 0.002°
• γ: 90°
• Cell volume: 8042.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No