Crystallography Open Database

Information card for entry 4334004

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Structure parameters

Formula	C23 H28 Ag F7 N4 O3 S
Calculated formula	C23 H28 Ag F7 N4 O3 S
SMILES	[Ag]123([N]4(Cc5cc(F)cc(c5)F)CC[NH]2CC[N]3(Cc2cc(cc(c2)F)F)CC[NH]1CC4)OS(=O)(=O)C(F)(F)F
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	20.7362 ± 0.0019 Å
b	10.8673 ± 0.001 Å
c	12.0256 ± 0.0011 Å
α	90°
β	100.386 ± 0.002°
γ	90°
Cell volume	2665.5 ± 0.4 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	0.1264
Residual factor for significantly intense reflections	0.0863
Weighted residual factors for significantly intense reflections	0.186
Weighted residual factors for all reflections included in the refinement	0.2089
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4334004.cif
179443	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.	4334004.cif
99814	2014-02-03	cif/ Adding structures of 4334004 via cif-deposit CGI script.	4334004.cif