Crystallography Open Database

Information card for entry 7127386

Preview

Coordinates	7127386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H32 Cl2 Li2 O4
Calculated formula	C16 H32 Cl2 Li2 O4
Title of publication	The structure-defining incorporation of chloride in methyllithium dimers.
Authors of publication	Knauer, Lena; Strohmann, Carsten
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	88
Pages of publication	13543 - 13546
a	9.4887 ± 0.0017 Å
b	11.075 ± 0.003 Å
c	9.7615 ± 0.0019 Å
α	90°
β	95.203 ± 0.01°
γ	90°
Cell volume	1021.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0477
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation probe	x-ray
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
260633 (current)	2021-01-07	cif/ Updating files of 7127384, 7127385, 7127386 Original log message: Adding full bibliography for 7127384--7127386.cif.	7127386.cif
257192	2020-10-06	cif/ Adding structures of 7127384, 7127385, 7127386 via cif-deposit CGI script.	7127386.cif