Crystallography Open Database

Information card for entry 4334012

Preview

Coordinates	4334012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H47 Cu F6 N5 O7 S2
Calculated formula	C43 H44 Cu F6 N5 O7 S2
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	16.6739 ± 0.0012 Å
b	13.7155 ± 0.001 Å
c	22.8264 ± 0.0013 Å
α	90°
β	124.256 ± 0.004°
γ	90°
Cell volume	4314.6 ± 0.5 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.1014
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for significantly intense reflections	0.2126
Weighted residual factors for all reflections included in the refinement	0.228
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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.	4334012.cif
99822	2014-02-03	cif/ Adding structures of 4334012 via cif-deposit CGI script.	4334012.cif