Crystallography Open Database

Information card for entry 4324110

Preview

Coordinates	4324110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H12 Fe N6
Calculated formula	C22 H12 Fe N6
Title of publication	Impact of Metal-Ion Dependence on the Porous and Electronic Properties of TCNQ-Dianion-Based Porous Coordination Polymers
Authors of publication	Satoru Shimomura; Nobuhiro Yanai; Ryotaro Matsuda; Susumu Kitagawa
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	172 - 177
a	17.4656 ± 0.0007 Å
b	17.4656 ± 0.0007 Å
c	23.0745 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	7038.8 ± 0.5 Å³
Cell temperature	293.1 K
Ambient diffraction temperature	293.1 K
Number of distinct elements	4
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for significantly intense reflections	0.1776
Weighted residual factors for all reflections included in the refinement	0.2072
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4324110.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324110.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324110.cif
24401	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324110 via cif-deposit CGI script.	4324110.cif