Information card for entry 4345160

Structure parameters

• Formula: C18 H24 Er2 N6 O21
• Calculated formula: C18 H6 Er2 N6 O21
• Title of publication: Photoluminescent and Slow Magnetic Relaxation Studies on Lanthanide(III)-2,5-pyrazinedicarboxylate Frameworks.
• Authors of publication: Marinho, Maria Vanda; Reis, Daniella O.; Oliveira, Willian X. C.; Marques, Lippy F.; Stumpf, Humberto O.; Déniz, Mariadel; Pasán, Jorge; Ruiz-Pérez, Catalina; Cano, Joan; Lloret, Francesc; Julve, Miguel
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 4
• Pages of publication: 2108 - 2123
• a: 6.0327 ± 0.0002 Å
• b: 12.7752 ± 0.0004 Å
• c: 13.1775 ± 0.0005 Å
• α: 118.99 ± 0.004°
• β: 90.575 ± 0.003°
• γ: 91.67 ± 0.002°
• Cell volume: 887.61 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No