Crystallography Open Database

Information card for entry 7200826

7200825 << 7200826 >> 7200827

Preview

Coordinates	7200826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 N2 O S
Calculated formula	C16 H18 N2 O S
Title of publication	Co-crystallization experiments of thiocarbamides with bipyridine-type molecules
Authors of publication	Ellis, Carol A.; Miller, Michael A.; Spencer, James; Zukerman-Schpector, Julio; Tiekink, Edward R. T.
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	7
Pages of publication	1352
a	11.454 ± 0.004 Å
b	14.95 ± 0.006 Å
c	17.707 ± 0.007 Å
α	90°
β	95.738 ± 0.011°
γ	90°
Cell volume	3017 ± 2 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 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	0.078
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.201
Weighted residual factors for all reflections included in the refinement	0.214
Goodness-of-fit parameter for all reflections included in the refinement	1.2
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180339 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/08.	7200826.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200826.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200826.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200826.cif