Crystallography Open Database

Information card for entry 4334005

Preview

Coordinates	4334005.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H32 Ag F3 N4 O3 S
Calculated formula	C23 H32 Ag F3 N4 O3 S
Title of publication	Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution
Authors of publication	Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2542 - 2549
a	14.6799 ± 0.0008 Å
b	10.2113 ± 0.0006 Å
c	16.6281 ± 0.0009 Å
α	90°
β	94.666 ± 0.001°
γ	90°
Cell volume	2484.3 ± 0.2 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0531
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
179443 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/40.	4334005.cif
99815	2014-02-03	cif/ Adding structures of 4334005 via cif-deposit CGI script.	4334005.cif