Crystallography Open Database

Information card for entry 4502931

Preview

Coordinates	4502931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 Ag N5 O3 S
Calculated formula	C8 H6 Ag N5 O3 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	6.4342 ± 0.0002 Å
b	7.9231 ± 0.0003 Å
c	21.6589 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1104.14 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0236
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.0521
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	4502931.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502931.cif
37798	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502928, 4502929, 4502930, 4502931, 4502932 via cif-deposit CGI script.	4502931.cif