Crystallography Open Database

Information card for entry 4348961

Preview

Coordinates	4348961.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	FeTCNQ(4,4'-bpy)_aniline
Chemical name	Iron(II) tetracyanoquinodimethane 4,4'-bipyridyl aniline
Formula	C34 H26 Fe N8
Calculated formula	C34 H26 Fe N8
Title of publication	Magnetic ordering in TCNQ-based metal‒organic frameworks with host‒guest interactions
Authors of publication	Zhang, Xuan; Saber, Mohamed R.; Prosvirin, Andrey P.; Reibenspies, Joseph H.; Sun, Lei; Ballesteros-Rivas, Maria; Zhao, Hanhua; Dunbar, Kim R.
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	10
Pages of publication	904
a	12.34 ± 0.002 Å
b	12.34 ± 0.002 Å
c	22.852 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3479.8 ± 1 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 ± 2 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 all reflections	0.0883
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.2003
Weighted residual factors for all reflections included in the refinement	0.2258
Goodness-of-fit parameter for all reflections included in the refinement	1.192
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
233513 (current)	2019-11-23	cif/ Adding structures of 4348961, 4348962, 4348963, 4348964 via cif-deposit CGI script.	4348961.cif