Information card for entry 7055381

Structure parameters

• Formula: C70 H89 Cr4 Dy N14 O43
• Calculated formula: C70 H89 Cr4 Dy N14 O43
• SMILES: c1cccc2C(=O)O[Cr]345([n]12)[n]1ccccc1C12c6cccc[n]6[Cr]67([n]8ccccc8C89c%10cccc[n]%10[Cr]%10%11%12([n]%13ccccc%13C%13%14c%15cccc[n]%15[Cr]%15%16([n]%17c(C(=O)O%15)cccc%17)([n]%15ccccc%15C%15(c%17cccc[n]3%17)[O]%16[Dy]3([O]=C(C)O3)([O]41)([O]68)([O]9%12)([O]%10%13)[O]5%15)O%14)[n]1c(C(=O)O%11)cccc1)([n]1ccccc1C(=O)O7)O2.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Synthesis, structure, magnetic and magnetocaloric properties of a series of {CrIII4LnIII} complexes
• Authors of publication: Blacque, Olivier; Amjad, Asma; Caneschi, Andrea; Sorace, Lorenzo; Car, Pierre-Emmanuel
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 3571
• a: 12.389 ± 0.0003 Å
• b: 17.8502 ± 0.0004 Å
• c: 20.4246 ± 0.0005 Å
• α: 80.244 ± 0.002°
• β: 82.55 ± 0.002°
• γ: 85.849 ± 0.002°
• Cell volume: 4408.04 ± 0.18 ų
• Cell temperature: 183 ± 1 K
• Ambient diffraction temperature: 183 ± 1 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: 0.0777
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No