Information card for entry 7059355

Structure parameters

• Formula: C27 H12 F18 N3 O6 Sm
• Calculated formula: C27 H12 F18 N3 O6 Sm
• SMILES: [Sm]1234([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)([O]=C(C=C(O3)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)[n]1c2c([nH]c1c1[n]4cccc1)cccc2
• Title of publication: Towards white light emission from a hybrid thin film of a self-assembled ternary samarium(iii) complex
• Authors of publication: Ilmi, Rashid; Kansız, Sevgi; Al-Rasbi, Nawal K.; Dege, Necmi; Raithby, Paul R.; Khan, Muhammad S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 5673 - 5683
• a: 14.2281 ± 0.0007 Å
• b: 13.2389 ± 0.0005 Å
• c: 19.1915 ± 0.0009 Å
• α: 90°
• β: 109.357 ± 0.004°
• γ: 90°
• Cell volume: 3410.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0546
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No