Crystallography Open Database

Information card for entry 4505511

Preview

Coordinates	4505511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H136 Ag8 Cl8 N8 O32 S16
Calculated formula	C96 H136 Ag8 Cl8 N8 O32 S16
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	16.642 ± 0.004 Å
b	17.785 ± 0.004 Å
c	32.181 ± 0.01 Å
α	96.826 ± 0.017°
β	95.146 ± 0.018°
γ	108.17 ± 0.012°
Cell volume	8904 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0816
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1945
Weighted residual factors for all reflections included in the refinement	0.2048
Goodness-of-fit parameter for all reflections included in the refinement	1.221
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4505511.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505511.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.	4505511.cif