Information card for entry 7021870

Structure parameters

• Formula: C114 H113 Cl6 Dy5 N4 O26
• Calculated formula: C113 H111 Cl4 Dy5 N4 O26
• SMILES: [Dy]12345([O]6[Dy]789%10%11([O]3[Dy]3%12%13%14(OC(=CC(=[O]%12)c%12ccccc%12)c%12ccccc%12)([O]2[Dy]2%12%15%16([O]1[Dy]1%176([O]732)([O]9C(=O)[C@H]2[NH]%17CCC2)(OC(=C[C@H](O1)c1ccccc1)c1ccccc1)[O]%15C(=O)[C@H]1[NH]%16CCC1)(O[C@H](c1ccccc1)C=C(O%12)c1ccccc1)[O]%13C(=O)[C@H]1[NH]%14CCC1)[O]%10C(=O)[C@H]1[NH]%11CCC1)OC(=C[C@H](O8)c1ccccc1)c1ccccc1)(OC(=C[C@@H](O4)c1ccccc1)c1ccccc1)O[C@H](c1ccccc1)C=C(O5)c1ccccc1.C(Cl)Cl.C(Cl)Cl.CO
• Title of publication: Slow magnetic relaxation in four square-based pyramidal dysprosium hydroxo clusters ligated by chiral amino acid anions - a comparative study.
• Authors of publication: Thielemann, Dominique T.; Wagner, Anna T.; Lan, Yanhua; Anson, Christopher E.; Gamer, Michael T.; Powell, Annie K.; Roesky, Peter W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 41
• Pages of publication: 14794 - 14800
• a: 17.1242 ± 0.0006 Å
• b: 20.0781 ± 0.0004 Å
• c: 32.8693 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11301.2 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No