Crystallography Open Database

Information card for entry 4502929

Preview

Coordinates	4502929.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H43 Ag6 F18 N24 O21.5 S12
Calculated formula	C54 H36 Ag6 F18 N24 O21.5 S12
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	15.692 ± 0.008 Å
b	16.14 ± 0.008 Å
c	20.812 ± 0.011 Å
α	92.159 ± 0.011°
β	97.23 ± 0.011°
γ	118.277 ± 0.009°
Cell volume	4576 ± 4 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	0.0865
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.151
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4502929.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502929.cif
37798	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502928, 4502929, 4502930, 4502931, 4502932 via cif-deposit CGI script.	4502929.cif