Crystallography Open Database

Information card for entry 4507476

Preview

Coordinates	4507476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 N8 O4
Calculated formula	C20 H26 N8 O4
Title of publication	Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Carboxylate Salts of a Bis(amidine)
Authors of publication	Lie, Sharon; Maris, Thierry; Malveau, Cédric; Beaudoin, Daniel; Helzy, Fatima; Wuest, James D.
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	5
Pages of publication	1872
a	14.7306 ± 0.0004 Å
b	19.4915 ± 0.0005 Å
c	8.2614 ± 0.0002 Å
α	90°
β	123.237 ± 0.001°
γ	90°
Cell volume	1983.99 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179610 (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 4/50/74.	4507476.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4507476.cif
85525	2013-05-07	cif/ Adding structures of 4507476 via cif-deposit CGI script.	4507476.cif