Crystallography Open Database

Information card for entry 4505513

Preview

Coordinates	4505513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H19 Ag Cl3 N O4 S2
Calculated formula	C13 H19 Ag Cl3 N O4 S2
Title of publication	Assembly of Silver(I) Complexes of Isomeric NS2-Macrocycles Displaying Cyclic Oligomer, Helix, and Zigzag Structures
Authors of publication	Park, Sunhong; Lindoy, Leonard F.; Lee, Shim Sung
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1320
a	30.3 ± 0.003 Å
b	7.6201 ± 0.0007 Å
c	16.7339 ± 0.0016 Å
α	90°
β	101.458 ± 0.003°
γ	90°
Cell volume	3786.7 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0686
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1309
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
179590 (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 4/50/55.	4505513.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505513.cif
51783	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505510, 4505511, 4505512, 4505513, 4505514, 4505515, 4505516, 4505517, 4505518 via cif-deposit CGI script.	4505513.cif