Crystallography Open Database

Information card for entry 1508510

Preview

Coordinates	1508510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H38 N P S2
Calculated formula	C16 H38 N P S2
Title of publication	Degradation of CYANEX 301 in Contact with Nitric Acid Media
Authors of publication	Marc, Philippe; Custelcean, Radu; Groenewold, Gary S.; Klaehn, John R.; Peterman, Dean R.; Delmau, Lætitia H.
Journal of publication	Industrial & Engineering Chemistry Research
Year of publication	2012
Journal volume	51
Journal issue	40
Pages of publication	13238
a	8.3942 ± 0.0008 Å
b	9.6626 ± 0.001 Å
c	26.242 ± 0.003 Å
α	90°
β	90.562 ± 0.002°
γ	90°
Cell volume	2128.4 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0862
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1322
Goodness-of-fit parameter for all reflections included in the refinement	1.124
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508510.cif
132083	2015-02-19	cif/1/50/85/ (antanas@koala.ibt.lt) Fixinf author name for CIFs 1508509, 1508510.	1508510.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508510.cif
72020	2013-01-21	cif/ Adding structures of 1508510 via cif-deposit CGI script.	1508510.cif