Information card for entry 7059760

Structure parameters

• Formula: C29 H15 Er F18 N4 O6
• Calculated formula: C29 H15 Er F18 N4 O6
• Title of publication: Structures and pure near-infrared photophysics of erbium and ytterbium(iii) complexes incorporating fluorinated β-diketone and neutral unidentate ligands
• Authors of publication: Ahmed, Zubair; Mahiya, Kuldeep; Iftikhar, Khalid
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 30
• Pages of publication: 13172 - 13181
• a: 35.728 ± 0.002 Å
• b: 20.5718 ± 0.0011 Å
• c: 20.8517 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15325.8 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No