Information card for entry 7714787

Structure parameters

• Formula: C38 H27 N4 P S2
• Calculated formula: C38 H27 N4 P S2
• SMILES: s1c2c(nc1c1c(N=P(Nc3c(c4sc5c(n4)cccc5)cccc3)(c3ccccc3)c3ccccc3)cccc1)cccc2
• Title of publication: Lanthanide complexes with a new luminescent iminophosphonamide ligand bearing phenylbenzothiazole substituents.
• Authors of publication: Sinitsa, Dmitry K.; Pylova, Ekaterina K.; Mironova, Olga A.; Bashirov, Denis A.; Ryadun, Alexey A.; Sukhikh, Taisiya S.; Konchenko, Sergey N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2181 - 2192
• a: 9.1902 ± 0.0015 Å
• b: 28.224 ± 0.005 Å
• c: 11.9753 ± 0.0019 Å
• α: 90°
• β: 90.93 ± 0.005°
• γ: 90°
• Cell volume: 3105.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0969
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.2339
• Weighted residual factors for all reflections included in the refinement: 0.2433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No