Crystallography Open Database

Information card for entry 1519983

1519982 << 1519983 >> 1519984

Preview

Coordinates	1519983.cif

Structure parameters

Chemical name	Tetraethylammonium hemitetramethylethylendiammonium ditartrate bromide hydrate
Formula	C19 H42 Br N2 O13
Calculated formula	C19 H42 Br N2 O13
Title of publication	Tetraethylammonium hemitetramethylethylendiammonium ditartrate bromide hydrate
Authors of publication	Callear, Samantha K.; Threlfall, Terence L.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	558
a	7.8263 ± 0.0015 Å
b	9.6552 ± 0.0019 Å
c	17.8962 ± 0.0016 Å
α	101.635 ± 0.01°
β	94.082 ± 0.011°
γ	92.688 ± 0.011°
Cell volume	1318.6 ± 0.4 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	0.0672
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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.	1519983.cif
137367	2015-05-26	cif/ Adding structures of 1519983 via cif-deposit CGI script.	1519983.cif