Information card for entry 7226745

Structure parameters

• Chemical name: AP/B18C6 cocrystal
• Formula: C16 H28 Cl N O10
• Calculated formula: C16 H28 Cl N O10
• SMILES: Cl(=O)(=O)(=O)[O-].O1c2c(OCCOCCOCCOCCOCC1)cccc2.[NH4+]
• Title of publication: Cocrystals of ammonium perchlorate with a series of crown ethers: preparation, structures, and properties
• Authors of publication: Cheng, Minmin; Liu, Xun; Luo, Qingping; Duan, Xiaohui; Pei, Chonghua
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 43
• Pages of publication: 8487
• a: 14.2783 ± 0.0002 Å
• b: 9.93551 ± 0.00015 Å
• c: 14.7043 ± 0.0003 Å
• α: 90°
• β: 99.5877 ± 0.0017°
• γ: 90°
• Cell volume: 2056.85 ± 0.06 ų
• Cell temperature: 292.36 ± 0.1 K
• Ambient diffraction temperature: 292.36 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.2059
• Weighted residual factors for all reflections included in the refinement: 0.2167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No