Information card for entry 7704944

Structure parameters

• Formula: C50 H68 Cl4 Gd N5 O16 S
• Calculated formula: C50 H68 Cl4 Gd N5 O16 S
• Title of publication: Mononuclear lanthanide(III)-oxamate complexes as new photoluminescent field-induced single-molecule magnets: solid-state photophysical and magnetic properties.
• Authors of publication: Vaz, Raphael C. A.; Esteves, Isabela O.; Oliveira, Willian X. C.; Honorato, João; Martins, Felipe T.; Marques, Lippy F.; Dos Santos, Guilherme L.; Freire, Ricardo O.; Jesus, Larissa T.; Pedroso, Emerson F.; Nunes, Wallace C.; Julve, Miguel; Pereira, Cynthia L. M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 16106 - 16124
• a: 14.1427 ± 0.0006 Å
• b: 26.4518 ± 0.001 Å
• c: 16.2848 ± 0.0006 Å
• α: 90°
• β: 90.531 ± 0.003°
• γ: 90°
• Cell volume: 6091.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No