Information card for entry 7021729

Structure parameters

• Formula: C90 H80 As F30 N16 O11 S
• Calculated formula: C87.69 H81.07 As F30 N16 O11 S
• Title of publication: Arsenate recognition in aqueous media by a simple tripodal urea.
• Authors of publication: Dutta, Ranjan; Bose, Purnandhu; Ghosh, Pradyut
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 32
• Pages of publication: 11371 - 11374
• a: 21.4103 ± 0.0019 Å
• b: 26.03 ± 0.002 Å
• c: 20.5147 ± 0.0018 Å
• α: 90°
• β: 111.082 ± 0.002°
• γ: 90°
• Cell volume: 10667.8 ± 1.6 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: 0.1187
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.2715
• Weighted residual factors for all reflections included in the refinement: 0.289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No