Information card for entry 4344392

Structure parameters

• Formula: C40 H48 Cr2 Ho2 N4 O20
• Calculated formula: C40 H48 Cr2 Ho2 N4 O20
• SMILES: C[O]12[Cr]3456[N]7(CC[O]4[Ho]4891([O]=C(c1ccccc1)O6)(ON(=[O]4)=O)[O]1(C)[Cr]46%10([N](CC[O]6[Ho]621([O]3CC7)([O]=C(O5)c1ccccc1)([O]=C(c1ccccc1)O%10)ON(=[O]6)=O)(CC[O]84)C)OC(=[O]9)c1ccccc1)C
• Title of publication: A Family of {Cr(III)2Ln(III)2} Butterfly Complexes: Effect of the Lanthanide Ion on the Single-Molecule Magnet Properties.
• Authors of publication: Langley, Stuart K.; Wielechowski, Daniel P.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 10497 - 10503
• a: 7.9823 ± 0.0006 Å
• b: 17.2497 ± 0.0012 Å
• c: 17.3295 ± 0.0013 Å
• α: 90°
• β: 92.336 ± 0.003°
• γ: 90°
• Cell volume: 2384.2 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No