Crystallography Open Database

Information card for entry 7127766

Preview

Coordinates	7127766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48.7 H45.4 Cl1.4 F12 Li2 N4 P2 Si2
Calculated formula	C48.7 H45.4 Cl1.4 F12 Li2 N4 P2 Si2
Title of publication	Complexation behaviour of LiCl and LiPF<sub>6</sub>- model studies in the solid-state and in solution using a bidentate picolyl-based ligand.
Authors of publication	Espinosa-Jalapa, Noel Angel; Berg, Nele; Seidl, Michael; Shenderovich, Ilya G.; Gschwind, Ruth M.; Bauer, Jonathan O.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	87
Pages of publication	13335 - 13338
a	10.5712 ± 0.0001 Å
b	18.1992 ± 0.0002 Å
c	27.2894 ± 0.0003 Å
α	90°
β	100.784 ± 0.001°
γ	90°
Cell volume	5157.42 ± 0.1 Å³
Cell temperature	123.15 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	8
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	0.0376
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260475 (current)	2021-01-04	cif/ Adding structures of 7127763, 7127764, 7127765, 7127766 via cif-deposit CGI script.	7127766.cif