Information card for entry 7036809

Structure parameters

• Formula: C74 H104 Cl Dy5 N8 O33.5
• Calculated formula: C74 H104 Cl Dy5 N8 O33.5
• SMILES: C1c2cc(C)cc3c2[O]2[Dy]4567([N](=C3)NC(=[O]4)C)([O]34Cc8cc(cc9C=[N]%10NC(=[O][Dy]%11%12%13%14%10([O](c89)[Dy]89%10%1524[O]1%11[Dy]124%11([O]8c8c(cc(cc8C=[N]2NC(=[O]4)C)C)C[O]59[Dy]24583([N](NC(C)=[O]4)=Cc3c(c(cc(c3)C)C[O]%12%101)[O]%152)([O]=C(C(C)(C)C)O5)[O]=C(C(C)(C)C)[O]68)([O]%13C(C(C)(C)C)=[O]%11)(OC(=O)C(C)(C)C)[OH2])[O]=C(O%14)C(C)(C)C)C)C)OC(=[O]7)C(C)(C)C.[Cl-].O.O.O.O.O.O.O.O.O
• Title of publication: Pentanuclear [2.2] spirocyclic lanthanide(iii) complexes: slow magnetic relaxation of the Dy(III) analogue.
• Authors of publication: Biswas, Sourav; Das, Sourav; van Leusen, Jan; Kögerler, Paul; Chandrasekhar, Vadapalli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 44
• Pages of publication: 19282 - 19293
• a: 40.368 ± 0.002 Å
• b: 40.368 ± 0.002 Å
• c: 11.9229 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19429.3 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No