Crystallography Open Database

Information card for entry 7224311

Preview

Coordinates	7224311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H14 Fe2 N O12
Calculated formula	C8 H14.0016 Fe2 N1.0002 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	8.2603 ± 0.0003 Å
b	8.2603 ± 0.0003 Å
c	13.8466 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	818.21 ± 0.05 Å³
Cell temperature	159.97 ± 0.18 K
Ambient diffraction temperature	159.97 ± 0.18 K
Number of distinct elements	5
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0216
Weighted residual factors for significantly intense reflections	0.048
Weighted residual factors for all reflections included in the refinement	0.0499
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
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
182801 (current)	2016-05-06	cif/ Updating files of 7224310, 7224311, 7224312, 7224313, 7224314 Original log message: Adding full bibliography for 7224310--7224314.cif.	7224311.cif
181804	2016-04-05	cif/ Updating files of 7224310, 7224311, 7224312, 7224313, 7224314 Original log message: Adding full bibliography for 7224310--7224314.cif.	7224311.cif
176744	2016-02-19	cif/ Adding structures of 7224311 via cif-deposit CGI script.	7224311.cif