Crystallography Open Database

Information card for entry 4309825

Preview

Coordinates	4309825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H76 Ag2 F12 O2 P2 S8
Calculated formula	C66 H76 Ag2 F12 O2 P2 S8
Title of publication	Coordination Networks with Flexible Ligands Based on Silver(I) Salts: Complexes of 1,3-Bis(phenylthio)propane with Silver(I) Salts of PF6-, CF3COO-, CF3CF2COO-, CF3CF2CF2COO-,p-TsO-, and CF3SO3-
Authors of publication	Mohamed Osman Awaleh; Antonella Badia; François Brisse
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	7833 - 7845
a	26.729 ± 0.003 Å
b	13.0101 ± 0.001 Å
c	20.98 ± 0.002 Å
α	90°
β	95.253 ± 0.01°
γ	90°
Cell volume	7265.1 ± 1.2 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 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	0.0727
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1746
Weighted residual factors for all reflections included in the refinement	0.1831
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179136 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/98.	4309825.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309825.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309825.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4309825.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309825.cif