Crystallography Open Database

Information card for entry 4502930

Preview

Coordinates	4502930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H6 Ag2 F10 N4 O4 S
Calculated formula	C14 H6 Ag2 F10 N4 O4 S
Title of publication	Conformation Restriction of Nonplanar Di-2-pyrimidyl Sulfide with Intramolecular N···C Interaction and Its Supramolecular Silver(I) Complexes
Authors of publication	Wan, Chong-Qing; Wang, Zi-Jia; Wang, Guo; Liu, Hao; Deng, Yu-Heng; Jin, Qiong-Hua
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	1
Pages of publication	376
a	12.429 ± 0.005 Å
b	16.447 ± 0.007 Å
c	10.574 ± 0.005 Å
α	90°
β	93.629 ± 0.008°
γ	90°
Cell volume	2157.2 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.1857
Residual factor for significantly intense reflections	0.0866
Weighted residual factors for significantly intense reflections	0.2054
Weighted residual factors for all reflections included in the refinement	0.2887
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
179560 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/29.	4502930.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502930.cif
37798	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502928, 4502929, 4502930, 4502931, 4502932 via cif-deposit CGI script.	4502930.cif