Information card for entry 4131906

Structure parameters

• Formula: C250.03 H329.15 Cl16.96 N32 O38.38 Tb2
• Calculated formula: C250.028 H329.156 Cl16.956 N32 O38.376 Tb2
• Title of publication: Comparison of the Magnetic Anisotropy and Spin Relaxation Phenomenon of Dinuclear Terbium(III) Phthalocyaninato Single-Molecule Magnets Using the Geometric Spin Arrangement.
• Authors of publication: Morita, Takaumi; Damjanović, Marko; Katoh, Keiichi; Kitagawa, Yasutaka; Yasuda, Nobuhiro; Lan, Yanhua; Wernsdorfer, Wolfgang; Breedlove, Brian K.; Enders, Markus; Yamashita, Masahiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 8
• Pages of publication: 2995 - 3007
• a: 17.3755 ± 0.0007 Å
• b: 19.9053 ± 0.0007 Å
• c: 22.8678 ± 0.0009 Å
• α: 64.5031 ± 0.0012°
• β: 88.255 ± 0.0014°
• γ: 75.2468 ± 0.0012°
• Cell volume: 6875.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.157
• Residual factor for significantly intense reflections: 0.1202
• Weighted residual factors for significantly intense reflections: 0.2924
• Weighted residual factors for all reflections included in the refinement: 0.3215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.78132 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No