Crystallography Open Database

Information card for entry 4505796

Preview

Coordinates	4505796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H44 Ag2 Cl2 N0 O8 S4
Calculated formula	C28 H44 Ag2 Cl2 O8 S4
SMILES	C1c2cc(ccc2)C[S]([Ag][S](Cc2cc(ccc2)C[S]([Ag][S]1CCC)CCC)CCC)CCC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	Varying the Frameworks of Novel Silver(I) Coordination Polymers with Thioethers by Altering the Backbone or Terminal Groups of Ligands
Authors of publication	Bu, Xian-He; Hou, Wen-Feng; Du, Miao; Chen, Wei; Zhang, Ruo-Hua
Journal of publication	Crystal Growth & Design
Year of publication	2002
Journal volume	2
Journal issue	4
Pages of publication	303
a	11.342 ± 0.003 Å
b	13.087 ± 0.004 Å
c	12.982 ± 0.004 Å
α	90°
β	95.93 ± 0.006°
γ	90°
Cell volume	1916.6 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1445
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1445
Weighted residual factors for all reflections included in the refinement	0.1733
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
179593 (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 4/50/57.	4505796.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505796.cif
53924	2012-04-20	cif/ Adding structures of 4505796 via cif-deposit CGI script.	4505796.cif