Information card for entry 7121427

Structure parameters

• Chemical name: BS-II-U-5 (urea)2, citric acid
• Formula: C8 H16 N4 O9
• Calculated formula: C8 H16 N4 O9
• Title of publication: Modulating the physical properties of solid forms of urea using co-crystallization technology.
• Authors of publication: Sandhu, Bhupinder; Sinha, Abhijeet S.; Desper, John; Aakeröy, Christer B
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 37
• Pages of publication: 4657 - 4660
• a: 6.5395 ± 0.0005 Å
• b: 6.7758 ± 0.0005 Å
• c: 15.2596 ± 0.0011 Å
• α: 81.525 ± 0.002°
• β: 85.861 ± 0.002°
• γ: 74.23 ± 0.002°
• Cell volume: 643.24 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No