Information card for entry 7031850

Structure parameters

• Formula: C54 H105 Co3 Gd3 N5 O33
• Calculated formula: C54 H105 Co3 Gd3 N5 O33
• SMILES: C1(C(C)(C)C)=[O][Co]2345[O]6[Gd]789%10([OH2])(O1)[O]1[Co]%11%12%13([O]=C(C(C)(C)C)O9)[O]7[Gd]79%14([OH2])([O]=C(C(C)(C)C)O%12)([O]%13CC[N]%11(CC1)CCCC)[O]1[Co]%11%12%13([O]=C(C(C)(C)C)O9)[O]7[Gd]6([O]%12CC[N]%13(CC1)CCCC)([O]=C(C(C)(C)C)O%11)([OH2])([O]2CC[N]3(CC[O]4%10)CCCC)([O]8%14)[O]=C(C(C)(C)C)O5.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
• Title of publication: Modulating the magnetic properties by structural modification in a family of Co-Ln (Ln = Gd, Dy) molecular aggregates.
• Authors of publication: Sheikh, Javeed Ahmad; Goswami, Soumyabrata; Konar, Sanjit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14577 - 14585
• a: 14.9 ± 0.003 Å
• b: 31.505 ± 0.005 Å
• c: 19.332 ± 0.003 Å
• α: 90°
• β: 103.363 ± 0.004°
• γ: 90°
• Cell volume: 8829 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1214
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2209
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No