Information card for entry 7042707

Structure parameters

• Formula: C86 H116 Er4 N14 Na2 O30
• Calculated formula: C86 H112 Er4 N14 Na2 O30
• SMILES: c12[O]3[Er]45678([OH2][Na]9([O]=CN(C)C)[O]=CN(C)C)[N]%10=Cc%11c%12[O]5[Er]5%13%14%15%16([OH2][Na]%17([O]=CN(C)C)[O]=CN(C)C)[O](c%12ccc%11)[Er]%11%12%18([N](=Cc%19c([O]%16%12)c(O%13)ccc%19)c%12ccccc%12O%11)([O]%15c%11c([N]5=Cc5c([O]7%14)c([O]8[Er]783([N](=Cc2cccc1O4)c1c(O7)cccc1)([O]6c1c%10cccc1)([O]9=CN(C)C)[O]=C(O8)C)ccc5)cccc%11)([O]%17=CN(C)C)[O]=C(O%18)C.N(C)(C=O)C.N(C)(C)C=O.O.N(C)(C)C=O.N(C=O)(C)C.O
• Title of publication: Lanthanide coordination complexes framed by sodium ions: Slow relaxation of the magnetization in the Dy(ΙΙΙ) derivative.
• Authors of publication: Konstantatos, Andreas; Sørensen, Mikkel A.; Bendix, Jesper; Weihe, Høgni
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.844 ± 0.001 Å
• b: 14.496 ± 0.0015 Å
• c: 14.9176 ± 0.0012 Å
• α: 63.479 ± 0.004°
• β: 77.978 ± 0.003°
• γ: 63.351 ± 0.002°
• Cell volume: 2394 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0542
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No