Information card for entry 7034769

Structure parameters

• Formula: C133.5 H284 Eu6 N15 O78.5 Zn2
• Calculated formula: C105 H155 Eu6 N15 O50 Zn2
• SMILES: [Eu]12345678[OH][Eu]9%10%11%12%13%14[O]%15[Zn]%16%17([OH]CC[N]%16(Cc%16c%15c(cc(c%16)C)C(=[N]9O)C)CCO%17)[O]=C9[O]%13[Eu]%13%15%16%17%18(O9)(Oc9c(cc(cc9C(=[NH+]O)C)C)C[N]%15(CC[OH]%13)CC[OH]%17)[O]9[Eu]%13%15%17%19%20%21(Oc%22c(cc(cc%22C(=[NH+]O)C)C)C[N]%15(CCO%17)CCO%20)O[NH+]=C(C)c%15c%17O[Eu]%20%22%23%24%25(OCC[N]%20(Cc%17cc(c%15)C)CC[OH]%23)([O]6C(=[O]%24)[O]7%16)O[NH+]=C(C)c6c7O[Eu]%15%16%17%20(O[NH+]=C(c%23c(O1)c(cc(c%23)C)C[N]8(CC[OH]2)CC[OH]3)C)([OH]CC[N]%17(Cc7cc(c6)C)CC[OH]%20)([O]5=C([O]4%11)[O]%15[Zn]12([O]%10c3c(cc(cc3C(=[N]%14O)C)C)C[N]2(CCO1)CCO)[O]%13=C9[O]%12%18)[O]%25=C([O]%21%22)[O]%19%16.O=N(=O)[O-].OC.OC.O
• Title of publication: Magnetic and magnetocaloric properties of an unusual family of carbonate-panelled [LnZn] cages.
• Authors of publication: Sethi, Waqas; Sanz, Sergio; Pedersen, Kasper S.; Sørensen, Mikkel A; Nichol, Gary S.; Lorusso, Giulia; Evangelisti, Marco; Brechin, Euan K.; Piligkos, Stergios
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10315 - 10320
• a: 20.7014 ± 0.0004 Å
• b: 22.2355 ± 0.0005 Å
• c: 25.2949 ± 0.0005 Å
• α: 71.8158 ± 0.0018°
• β: 88.325 ± 0.0015°
• γ: 63.667 ± 0.002°
• Cell volume: 9832.1 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.074
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No