Crystallography Open Database

Information card for entry 4505512

Preview

Coordinates	4505512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H41 Ag2 Cl5 N4 O8 S4
Calculated formula	C29 H41 Ag2 Cl5 N4 O8 S4
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	7.7864 ± 0.0007 Å
b	18.8075 ± 0.0017 Å
c	28.265 ± 0.003 Å
α	90°
β	94.465 ± 0.004°
γ	90°
Cell volume	4126.6 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.123
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.	4505512.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505512.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.	4505512.cif