Crystallography Open Database

Information card for entry 2019667

2019666 << 2019667 >> 2019668

Preview

Coordinates	2019667.cif
Original IUCr paper	HTML

Structure parameters

Common name	Methyl parathion
Chemical name	Dimethyl 4-nitrophenyl phosphorothioate
Formula	C8 H10 N O5 P S
Calculated formula	C8 H10 N O5 P S
Title of publication	Two organophosphorus pesticides: methyl parathion and dicapthon
Authors of publication	Baughman, Russell G.; Hall, Gabriel B.
Journal of publication	Acta Crystallographica Section C
Year of publication	2014
Journal volume	70
Journal issue	10
Pages of publication	975 - 977
a	7.0232 ± 0.0003 Å
b	21.1563 ± 0.0008 Å
c	7.9679 ± 0.0003 Å
α	90°
β	104.428 ± 0.0004°
γ	90°
Cell volume	1146.57 ± 0.08 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019667.cif
126174	2014-11-03	cif/ Updating files of 2019667, 2019668 Original log message: Adding full bibliography for 2019667--2019668.cif.	2019667.cif
124378	2014-09-30	cif/ hkl/ Adding structures of 2019667, 2019668 via cif-deposit CGI script.	2019667.cif