Crystallography Open Database

Information card for entry 4324109

Preview

Coordinates	4324109.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	12.377 ± 0.013 Å
b	12.377 ± 0.013 Å
c	22.9 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	3508 ± 6 Å³
Cell temperature	213.1 K
Ambient diffraction temperature	213.1 K
Number of distinct elements	4
Space group number	140
Hermann-Mauguin space group symbol	I 4/m c m
Hall space group symbol	-I 4 2c
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	0.841
Diffraction radiation wavelength	0.7107 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.	4324109.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324109.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324109.cif
24400	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324109 via cif-deposit CGI script.	4324109.cif