Crystallography Open Database

Information card for entry 4318141

Preview

Coordinates	4318141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H57 Ag2 Cl2 N0 O9 S6
Calculated formula	C49 H55 Ag2 Cl2 O9 S6
Title of publication	Controlling the Framework Formation of Silver(I) Coordination Polymers with 1,4-Bis(phenylthio)butane by Varying the Solvents, Metal-to-Ligand Ratio, and Counteranions
Authors of publication	Xian-He Bu; Wei Chen; Wen-Feng Hou; Miao Du; Ruo-Hua Zhang; Francois Brisse
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	3477 - 3482
a	11.9147 ± 0.0013 Å
b	16.1534 ± 0.0017 Å
c	16.2259 ± 0.0017 Å
α	74.977 ± 0.002°
β	69.03 ± 0.002°
γ	69.986 ± 0.002°
Cell volume	2706.5 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1102
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1474
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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
179261 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/81.	4318141.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318141.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318141.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4318141.cif
14429	2011-03-10	../uploads/cif-deposit/cod/cif Adding structures of 4318141 via cif-deposit CGI script.	4318141.cif