Crystallography Open Database

Information card for entry 4348964

Preview

Coordinates	4348964.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Fe(TCNQ)(DMF)2
Chemical name	Iron tetracyanoquinodimethane N,N-dimethylformamide
Formula	C24 H32 Fe N8 O4
Calculated formula	C24 H32 Fe N8 O4
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	7.3351 ± 0.0015 Å
b	8.8483 ± 0.0018 Å
c	11.466 ± 0.002 Å
α	82.2 ± 0.03°
β	89.3 ± 0.03°
γ	68.41 ± 0.03°
Cell volume	685 ± 0.3 Å³
Cell temperature	110.15 K
Ambient diffraction temperature	110.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1059
Residual factor for significantly intense reflections	0.0887
Weighted residual factors for significantly intense reflections	0.2517
Weighted residual factors for all reflections included in the refinement	0.268
Goodness-of-fit parameter for all reflections included in the refinement	1.0525
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4348964.cif