Information card for entry 7041869

Structure parameters

• Formula: C34 H26 Gd N5 O11 P2
• Calculated formula: C34 H26 Gd N5 O11 P2
• SMILES: [Gd]123456([O]=P(c7[n]2c(c2[n]3c(P(=[O]1)(c1ccccc1)c1ccccc1)ccc2)ccc7)(c1ccccc1)c1ccccc1)(ON(=[O]4)=O)(ON(=[O]5)=O)[O]=N(=O)O6
• Title of publication: Hard-and-soft phosphinoxide receptors for f-element binding: structure and photophysical properties of europium(iii) complexes.
• Authors of publication: Borisova, Nataliya E.; Kharcheva, Anastasia V.; Patsaeva, Svetlana V.; Korotkov, Leonid A.; Bakaev, Sergey; Reshetova, Marina D.; Lyssenko, Konstantin A.; Belova, Elena V.; Myasoedov, Boris F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 2238 - 2248
• a: 20.593 ± 0.002 Å
• b: 17.456 ± 0.002 Å
• c: 19.15 ± 0.002 Å
• α: 90°
• β: 90.195 ± 0.003°
• γ: 90°
• Cell volume: 6883.8 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0992
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No