Crystallography Open Database

Information card for entry 7018193

Preview

Coordinates	7018193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H23 N2 O2 P S2
Calculated formula	C10 H23 N2 O2 P S2
SMILES	S=P(OC(C)C)(NC(=S)NC(C)C)OC(C)C
Title of publication	N-(Diisopropylthiophosphoryl)-N'-(R)-thioureas: synthesis, characterization, crystal structures and competitive bulk liquid membrane transport of some metal ions.
Authors of publication	Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Garcia, Yann
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	11
Pages of publication	3223 - 3232
a	8.7411 ± 0.0004 Å
b	9.4953 ± 0.0004 Å
c	10.2409 ± 0.0005 Å
α	94.511 ± 0.002°
β	99.974 ± 0.002°
γ	94.849 ± 0.002°
Cell volume	830.37 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.077
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
179885 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/81.	7018193.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018193.cif
37682	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7018193, 7018194, 7018195, 7018196, 7018197, 7018198 via cif-deposit CGI script.	7018193.cif