Information card for entry 7028623

Structure parameters

• Formula: C44 H48 Cl6 Gd2 N4 O6
• Calculated formula: C44 H48 Cl6 Gd2 N4 O6
• SMILES: OCC.Cl[Gd]1(Oc2cccc3ccc([nH+]c23)C)([O](c2cccc3ccc([nH+]c23)C)[Gd](Oc2cccc3ccc([nH+]c23)C)([O]1c1cccc2ccc([nH+]c12)C)(Cl)(Cl)Cl)(Cl)Cl.OCC
• Title of publication: Anion effects on the structures and magnetic properties of binuclear lanthanide single-molecule magnets.
• Authors of publication: Yang, Fen; Zhou, Qi; Zeng, Guang; Li, Guanghua; Gao, Lu; Shi, Zhan; Feng, Shouhua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1238 - 1245
• a: 10.883 ± 0.002 Å
• b: 12.17 ± 0.002 Å
• c: 18.594 ± 0.004 Å
• α: 90°
• β: 105.43 ± 0.03°
• γ: 90°
• Cell volume: 2373.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No