Crystallography Open Database

Information card for entry 7224313

Preview

Coordinates	7224313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H14 Fe2 N O12
Calculated formula	C8.002 H14.006 Fe2 N1.001 O12
Title of publication	Dielectric relaxation behavior in antiferroelectric metal organic framework [(CH3)2NH2][Fe(III)Fe(II)(HCOO)6] single crystals.
Authors of publication	Sieradzki, A.; Pawlus, S.; Tripathy, S. N.; Gągor, A; Ciupa, A.; Mączka, M; Paluch, M.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2016
Journal volume	18
Journal issue	12
Pages of publication	8462 - 8467
a	14.2991 ± 0.0005 Å
b	14.2991 ± 0.0005 Å
c	41.5361 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	7354.8 ± 0.4 Å³
Cell temperature	149.97 ± 0.18 K
Ambient diffraction temperature	149.97 ± 0.18 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0778
Goodness-of-fit parameter for all reflections included in the refinement	1.174
Diffraction radiation probe	x-ray
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
182801 (current)	2016-05-06	cif/ Updating files of 7224310, 7224311, 7224312, 7224313, 7224314 Original log message: Adding full bibliography for 7224310--7224314.cif.	7224313.cif
181804	2016-04-05	cif/ Updating files of 7224310, 7224311, 7224312, 7224313, 7224314 Original log message: Adding full bibliography for 7224310--7224314.cif.	7224313.cif
176746	2016-02-19	cif/ Adding structures of 7224313 via cif-deposit CGI script.	7224313.cif