Crystallography Open Database

Information card for entry 4502525

Preview

Coordinates	4502525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H48 Ag2 Cl2 O12 S4
Calculated formula	C40 H48 Ag2 Cl2 O12 S4
Title of publication	Solvent-Dependent Networking of O2S2-Macrocycle with Silver Perchlorate into One- and Two-Dimensional Coordination Polymers
Authors of publication	Lee, So Young; Jung, Jong Hwa; Vittal, Jagadese J.; Lee, Shim Sung
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	3
Pages of publication	1033
a	16.962 ± 0.003 Å
b	17.995 ± 0.004 Å
c	15.2 ± 0.003 Å
α	90°
β	107.7 ± 0.03°
γ	90°
Cell volume	4419.9 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1143
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1469
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179556 (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 4/50/25.	4502525.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502525.cif
36451	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4502525, 4502526, 4502527 via cif-deposit CGI script.	4502525.cif