Information card for entry 2311667

Structure parameters

• Formula: C36 H42 Ce N7 O15 P2
• Calculated formula: C36 H42 Ce N7 O15 P2
• Title of publication: Phosphoramides bearing isoxazole derivative: spectroscopic and structural characterization, study of hydrogen-bonding interactions and two lanthanide complexes (LnIII = Ce and Eu).
• Authors of publication: Gholivand, Khodayar; Molaei, Foroogh; Hosseini, Mahdieh
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2015
• Journal volume: 71
• Journal issue: Pt 2
• Pages of publication: 176 - 185
• a: 14.8817 ± 0.0005 Å
• b: 15.9332 ± 0.0005 Å
• c: 36.7289 ± 0.0012 Å
• α: 90°
• β: 96.133 ± 0.001°
• γ: 90°
• Cell volume: 8659.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0793
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No