Information card for entry 1540564

Structure parameters

• Formula: C62 H77 Dy N4 P4 Si4
• Calculated formula: C62 H77 Dy N4 P4 Si4
• SMILES: C12=P(c3ccccc3)(c3ccccc3)N([Si](C)(C)C)[Dy]342(C(P(c2ccccc2)(c2ccccc2)=[N]3[Si](C)(C)C)P(c2ccccc2)(c2ccccc2)=[N]4[Si](C)(C)C)[N]([Si](C)(C)C)=P1(c1ccccc1)c1ccccc1
• Title of publication: A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour
• Authors of publication: Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 155
• a: 31.7145 ± 0.0011 Å
• b: 25.723 ± 0.0004 Å
• c: 20.9468 ± 0.0007 Å
• α: 90°
• β: 132.69 ± 0.006°
• γ: 90°
• Cell volume: 12560.4 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0257
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No