Information card for entry 4500494

Structure parameters

• Formula: C26 H26 F6 N8 O6 Si
• Calculated formula: C26 H26 F6 N8 O6 Si
• SMILES: c1cc(c[nH+]c1)CNC(=O)Nc1ccc(cc1)N(=O)=O.F[Si](F)(F)(F)([F-])[F-].c1ccc(c[nH+]1)CNC(=O)Nc1ccc(N(=O)=O)cc1
• Title of publication: Binding of Polyatomic Anions with Protonated Ureido-pyridyl Ligands
• Authors of publication: Marivel, S.; Arunachalam, M.; Ghosh, Pradyut
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 1642
• a: 6.385 ± 0.001 Å
• b: 7.828 ± 0.001 Å
• c: 14.914 ± 0.002 Å
• α: 104.36 ± 0.01°
• β: 100.1 ± 0.01°
• γ: 93.24 ± 0.01°
• Cell volume: 707.03 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No