Information card for entry 7030762

Structure parameters

• Formula: C196 H250 Dy N24 O26 Y
• Calculated formula: C196 H250 Dy N24 O26 Y
• Title of publication: Effect of f-f interactions on quantum tunnelling of the magnetization: mono- and dinuclear Dy(iii) phthalocyaninato triple-decker single-molecule magnets with the same octacoordination environment.
• Authors of publication: Katoh, Keiichi; Asano, Rina; Miura, Akira; Horii, Yoji; Morita, Takaumi; Breedlove, Brian K.; Yamashita, Masahiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7716 - 7725
• a: 13.2019 ± 0.0008 Å
• b: 17.8511 ± 0.0011 Å
• c: 20.6088 ± 0.0012 Å
• α: 107.356 ± 0.001°
• β: 90.537 ± 0.001°
• γ: 100.865 ± 0.001°
• Cell volume: 4541.4 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 91 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No