Information card for entry 7057405

Structure parameters

• Formula: C54 H56 Gd2 N6 O14
• Calculated formula: C54 H56 Gd2 N6 O14
• Title of publication: Regulating the luminescent and magnetic properties of rare-earth complexes with β-diketonate coligands
• Authors of publication: Chu, Xiao-Ya; Wang, Wen-Min; Nie, Yao-Yao; Cui, Jian-Zhong; Gao, Hong-Ling
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 11417
• a: 13.258 ± 0.003 Å
• b: 9.035 ± 0.002 Å
• c: 22.25 ± 0.006 Å
• α: 90°
• β: 91.829 ± 0.005°
• γ: 90°
• Cell volume: 2663.9 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No