Information card for entry 7042478

Structure parameters

• Formula: C68 H70 Co2 Dy2 N8 O22
• Calculated formula: C68 H70 Co2 Dy2 N8 O22
• SMILES: c12c(cccc1C=[N]1c3ccccc3[O]34[Co]567([N]8=Cc9c%10[O]5[Dy]513(O2)([O](c%10ccc9)C)(ON(=[O]5)=O)[O]1c2c([N]3=Cc5c9[O]%10[Co]413([O]17c3c([N]4=Cc7c(c(ccc7)OC)O[Dy]7%1014([O]6c1c8cccc1)([O](c9ccc5)C)ON(=[O]7)=O)cccc3)[O]=CN(C)C)cccc2)[O]=CN(C)C)OC.O=C(C)C.C(=O)(C)C
• Title of publication: The role of coordinated solvent on Co(ii) ions in tuning the single molecule magnet properties in a {CoDy} system.
• Authors of publication: Peng, Yan; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 5337 - 5343
• a: 13.9549 ± 0.0008 Å
• b: 14.4077 ± 0.0007 Å
• c: 17.3933 ± 0.0009 Å
• α: 90°
• β: 95.113 ± 0.004°
• γ: 90°
• Cell volume: 3483.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0358
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No