Information card for entry 4334836

Structure parameters

• Formula: C25 H43 K N4 O11
• Calculated formula: C25 H43 K N4 O11
• SMILES: [K]12345([O]=C(Nc6c(NC(=O)NCC)cccc6)NCC)(OC(=O)O)[O]6CC[O]5CC[O]4CC[O]3CC[O]2CC[O]1CC6
• Title of publication: Tris Chelating Phosphate Complexes of Bis(thio)urea Ligands
• Authors of publication: Rui Li; Yanxia Zhao; Shaoguang Li; Peiju Yang; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5851 - 5860
• a: 8.3476 ± 0.0007 Å
• b: 11.1908 ± 0.001 Å
• c: 16.67 ± 0.0015 Å
• α: 87.865 ± 0.001°
• β: 85.236 ± 0.001°
• γ: 77.412 ± 0.001°
• Cell volume: 1514.3 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No