Crystallography Open Database

Information card for entry 4334009

Preview

Coordinates	4334009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H44 Ag F3 N4 O4 S
Calculated formula	C40 H40 Ag F3 N4 O4 S
SMILES	CO.[Ag]123[NH]4CC[N]1(CC[NH]3CC[N]2(Cc1c2c(cc3c1cccc3)cccc2)CC4)Cc1c2c(cc3c1cccc3)cccc2.S(=O)(=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	10.1283 ± 0.0007 Å
b	19.0025 ± 0.0014 Å
c	19.4108 ± 0.0014 Å
α	90°
β	94.619 ± 0.001°
γ	90°
Cell volume	3723.7 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0501
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1207
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4334009.cif
99819	2014-02-03	cif/ Adding structures of 4334009 via cif-deposit CGI script.	4334009.cif