Crystallography Open Database

Information card for entry 4324110

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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

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