Information card for entry 7049512

Structure parameters

• Formula: C36 H21 F18 N6 O6 Pr
• Calculated formula: C36 H21 F18 N6 O6 Pr
• Title of publication: Red, orange-red and near-infrared light emitting ternary lanthanide tris β-diketonate complexes with distorted C_4v geometrical structures.
• Authors of publication: Ahmed, Zubair; Iftikhar, Khalid
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 15
• Pages of publication: 4973 - 4986
• a: 12.0178 ± 0.0003 Å
• b: 19.05 ± 0.0005 Å
• c: 19.4319 ± 0.0005 Å
• α: 90°
• β: 102.755 ± 0.003°
• γ: 90°
• Cell volume: 4338.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No