Information card for entry 7047029

Structure parameters

• Formula: C38 H42 Cu4 Gd2 N20 O30
• Calculated formula: C38 H39 Cu4 Gd2 N20 O30
• Title of publication: Heterometallic Cu/Ln cluster chemistry: ferromagnetically-coupled {Cu₄Ln₂} complexes exhibiting single-molecule magnetism and magnetocaloric properties.
• Authors of publication: Alexandropoulos, Dimitris I.; Cunha-Silva, Luis; Tang, Jinkui; Stamatatos, Theocharis C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 34
• Pages of publication: 11934 - 11941
• a: 11.4453 ± 0.0002 Å
• b: 11.8205 ± 0.0002 Å
• c: 12.131 ± 0.0002 Å
• α: 83.697 ± 0.001°
• β: 76.103 ± 0.001°
• γ: 80.922 ± 0.001°
• Cell volume: 1568.77 ± 0.05 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: 0.0296
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.68239 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No