Crystallography Open Database

Information card for entry 1519971

1519970 << 1519971 >> 1519972

Preview

Coordinates	1519971.cif

Structure parameters

Chemical name	Tetra(tetraethylbutylammonium bromide) di(DL-tartaric acid) tetrahydrate
Formula	C20 H50 Br2 N2 O8
Calculated formula	C20 H50 Br2 N2 O8
Title of publication	Tetra(tetraethylbutylammonium bromide) di(DL-tartaric acid) tetrahydrate
Authors of publication	Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	574
a	13.912 ± 0.002 Å
b	14.2967 ± 0.0007 Å
c	16.456 ± 0.002 Å
α	64.325 ± 0.008°
β	78.777 ± 0.009°
γ	89.72 ± 0.007°
Cell volume	2881.8 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0859
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519971.cif
137355	2015-05-26	cif/ Adding structures of 1519971 via cif-deposit CGI script.	1519971.cif