Information card for entry 7058015

Structure parameters

• Formula: C19 H20 Cu Er N5 O12
• Calculated formula: C19 H20 Cu Er N5 O12
• Title of publication: A series of CuII‒LnIII complexes of an N2O3 donor asymmetric ligand and a possible CuII‒TbIII SMM candidate in no bias field
• Authors of publication: Mahapatra, Prithwish; Koizumi, Naoki; Kanetomo, Takuya; Ishida, Takayuki; Ghosh, Ashutosh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 634
• a: 11.073 ± 0.005 Å
• b: 14.257 ± 0.005 Å
• c: 16.022 ± 0.005 Å
• α: 90 ± 0.005°
• β: 108.285 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2401.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No