Information card for entry 7240565

Structure parameters

• Chemical name: catena-(/m-3-beta-Alanine-lithium perchlorate)
• Formula: C3 H7 Cl Li N O6
• Calculated formula: C3 H7 Cl Li N O6
• Title of publication: Polymorphism and structural diversities of LiClO4 - β-alanine ionic co-crystals
• Authors of publication: Marek, Paulina Halina; Cichowicz, Grzegorz; Osowicka, Dorota; Madura, Izabela Dorota; Dobrzycki, Lukasz; Cyranski, Michal; Ciesielski, Arkadiusz
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 24.143 ± 0.003 Å
• b: 5.0111 ± 0.0007 Å
• c: 14.528 ± 0.002 Å
• α: 90°
• β: 125.825 ± 0.003°
• γ: 90°
• Cell volume: 1425.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No