Information card for entry 7714791

Structure parameters

• Formula: C144 H126 Dy N12 O4 P3 S6
• Calculated formula: C144 H126 Dy N12 O4 P3 S6
• SMILES: [Dy]123456([N](=P(N2c2ccccc2c2sc7c([n]32)cccc7)(c2ccccc2)c2ccccc2)c2c(c3sc7ccccc7[n]13)cccc2)[N](=P(N4c1ccccc1c1sc2c([n]61)cccc2)(c1ccccc1)c1ccccc1)c1ccccc1c1sc2ccccc2[n]51.s1c(nc2ccccc12)c1c(N=P([N-]c2c(cccc2)c2sc3c(n2)cccc3)(c2ccccc2)c2ccccc2)cccc1.O1CCCC1.O1CCCC1.C1CCCO1.O1CCCC1.c1(ccccc1)C.c1(ccccc1)C
• 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: 22.7471 ± 0.0015 Å
• b: 14.4532 ± 0.001 Å
• c: 37.979 ± 0.003 Å
• α: 90°
• β: 93.482 ± 0.003°
• γ: 90°
• Cell volume: 12463.2 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No