Crystallography Open Database

Information card for entry 4508346

Preview

Coordinates	4508346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H22 Ag F3 N2 O4 S
Calculated formula	C25 H12 Ag F3 N2 O4 S
Title of publication	Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene
Authors of publication	Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	10
Pages of publication	4245
a	20.58 ± 0.0003 Å
b	17.9639 ± 0.0003 Å
c	13.8076 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5104.63 ± 0.14 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	7
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1064
Residual factor for significantly intense reflections	0.076
Weighted residual factors for significantly intense reflections	0.2418
Weighted residual factors for all reflections included in the refinement	0.2626
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
179619 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/83.	4508346.cif
89021	2013-10-09	cif/ Adding structures of 4508345, 4508346, 4508347, 4508348, 4508349 via cif-deposit CGI script.	4508346.cif