Information card for entry 4345117

Structure parameters

• Formula: C78 H96 Cl4 Er2 N8 O8
• Calculated formula: C78 H96 Cl4 Er2 N8 O8
• Title of publication: Modulating Single-Molecule Magnetic Behavior of a Dinuclear Erbium(III) Complex by Solvent Exchange.
• Authors of publication: Ge, Jing-Yuan; Cui, Long; Li, Jing; Yu, Fei; Song, You; Zhang, Yi-Quan; Zuo, Jing-Lin; Kurmoo, Mohamedally
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 336 - 343
• a: 19.255 ± 0.004 Å
• b: 17.807 ± 0.004 Å
• c: 14.734 ± 0.003 Å
• α: 90°
• β: 127.849 ± 0.004°
• γ: 90°
• Cell volume: 3989.1 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No