Information card for entry 7226747

Structure parameters

• Common name: AP/18C6
• Chemical name: cocrystal
• Formula: C12 H28 Cl N O10
• Calculated formula: C12 H28 Cl N O10
• SMILES: Cl(=O)(=O)(=O)[O-].O1CCOCCOCCOCCOCCOCC1.[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: 21.9447 ± 0.0009 Å
• b: 8.6823 ± 0.0003 Å
• c: 22.5551 ± 0.0011 Å
• α: 90°
• β: 118.257 ± 0.006°
• γ: 90°
• Cell volume: 3785.3 ± 0.3 ų
• Cell temperature: 176.41 ± 0.1 K
• Ambient diffraction temperature: 176.41 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No