Information card for entry 7240564

Structure parameters

• Chemical name: catena-(bis(/m2-beta-Alanine)-lithium perchlotate)
• Formula: C6 H14 Cl Li N2 O8
• Calculated formula: C6 H14 Cl Li N2 O8
• 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: 8.3651 ± 0.0006 Å
• b: 9.9433 ± 0.0007 Å
• c: 27.584 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2294.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.04 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No