Crystallography Open Database

Information card for entry 7240565

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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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240565.cif
252267	2020-05-22	cif/ Adding structures of 7240564, 7240565, 7240566 via cif-deposit CGI script.	7240565.cif