Crystallography Open Database

Information card for entry 1572321

Preview

Coordinates	1572321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H58 Br Cl6 Li N6 O4
Calculated formula	C56 H57 Br Cl6 Li N6 O4
Title of publication	Ion pair extractant selective for LiCl and LiBr.
Authors of publication	Heo, Nam Jung; Oh, Ju Hyun; Li, Aimin; Lee, Kyounghoon; He, Qing; Sessler, Jonathan L.; Kim, Sung Kuk
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	34
Pages of publication	13958 - 13965
a	13.9123 ± 0.0013 Å
b	14.8656 ± 0.0013 Å
c	13.084 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2706 ± 0.4 Å³
Cell temperature	123.15 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	7
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0909
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.171
Weighted residual factors for all reflections included in the refinement	0.1889
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294499 (current)	2024-09-06	cif/ Updating files of 1572321 Original log message: Adding full bibliography for 1572321.cif.	1572321.cif
294083	2024-08-13	cif/ Adding structures of 1572321 via cif-deposit CGI script.	1572321.cif