Information card for entry 7211206

Structure parameters

• Chemical name: 1,3-bis(4-nitrophenyl)urea with tetramethylammonium chloride
• Formula: C17 H22 Cl N5 O5
• Calculated formula: C17 H22 Cl N5 O5
• Title of publication: Systematic structural analysis of a series of anion receptor complexes
• Authors of publication: Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 44
• Pages of publication: 9003
• a: 7.6033 ± 0.0002 Å
• b: 11.4827 ± 0.0003 Å
• c: 11.8705 ± 0.0004 Å
• α: 83.186 ± 0.001°
• β: 71.662 ± 0.002°
• γ: 80.423 ± 0.002°
• Cell volume: 967.59 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.071
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.396
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No