Crystallography Open Database

Information card for entry 4325166

Preview

Coordinates	4325166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H27 Ag Cl N3 O4 S6
Calculated formula	C21 H25 Ag Cl N3 O4 S6
Title of publication	Mercaptothiazolinyl Functionalized Hexapodal and Tripodal Receptors on Benzene Platform: Formation of Silver Ion Assisted Hexanuclear Metallocage vs Metal-Organic Polymer
Authors of publication	B. Nisar Ahamed; M. Arunachalam; Pradyut Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4772 - 4780
a	16.423 ± 0.003 Å
b	9.4511 ± 0.0014 Å
c	20.27 ± 0.003 Å
α	90°
β	95.743 ± 0.004°
γ	90°
Cell volume	3130.4 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0822
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1721
Weighted residual factors for all reflections included in the refinement	0.1858
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
179354 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/51.	4325166.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325166.cif
43619	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325166 via cif-deposit CGI script.	4325166.cif