Crystallography Open Database

Information card for entry 7113873

Preview

Coordinates	7113873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H30 Ag2 N2 O6 S6
Calculated formula	C42 H30 Ag2 N2 O6 S6
Title of publication	Photoluminescent supramolecular networks from metal-mediated assembly of polythia conjugated dieneyne
Authors of publication	Fu, Yuan-Te; Lynch, Vincent M.; Lagow, Richard J.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	9
Pages of publication	1068 - 1069
a	5.6901 ± 0.0001 Å
b	16.3738 ± 0.0003 Å
c	21.0277 ± 0.0004 Å
α	90°
β	93.418 ± 0.001°
γ	90°
Cell volume	1955.64 ± 0.06 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
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	0.0995
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1487
Goodness-of-fit parameter for all reflections included in the refinement	1.423
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104091
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210632 (current)	2018-09-09	cif/7/ Updating bibliogaphy in entries 7104090-7104091, 7113872-7113873. Marking entries 7113872-7113873 as duplicates of entries 7104090-7104091.	7113873.cif
180252	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/38.	7113873.cif
115321	2014-06-03	cif/ Adding structures of 7113872, 7113873 via cif-deposit CGI script.	7113873.cif