Crystallography Open Database

Information card for entry 4502928

Preview

Coordinates	4502928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Ag2 F6 N8 O6 S2
Calculated formula	C20 H14 Ag2 F6 N8 O6 S2
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	10.506 ± 0.007 Å
b	11.575 ± 0.008 Å
c	12.026 ± 0.008 Å
α	82.328 ± 0.014°
β	77.199 ± 0.014°
γ	83.932 ± 0.013°
Cell volume	1408.9 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	4502928.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502928.cif
37798	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502928, 4502929, 4502930, 4502931, 4502932 via cif-deposit CGI script.	4502928.cif