Crystallography Open Database

Information card for entry 4002727

Preview

Coordinates	4002727.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H10 Fe N2 O6
Calculated formula	C3.9999 H9.9993 Fe N1.9998 O6
Title of publication	Phase Transitions and Coexistence of Magnetic and Electric Orders in the Methylhydrazinium Metal Formate Frameworks
Authors of publication	Mączka, Mirosław; Gągor, Anna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam
Journal of publication	Chemistry of Materials
Year of publication	2017
Journal volume	29
Journal issue	5
Pages of publication	2264
a	8.112 ± 0.0002 Å
b	8.112 ± 0.0002 Å
c	22.5371 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	1284.35 ± 0.06 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0207
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.0401
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
194778 (current)	2017-04-04	cif/ Updating files of 4002715, 4002716, 4002717, 4002718, 4002719, 4002720, 4002721, 4002722, 4002723, 4002724, 4002725, 4002726, 4002727 Original log message: Adding full bibliography for 4002715--4002727.cif.	4002727.cif
192500	2017-03-01	cif/ Adding structures of 4002725, 4002726, 4002727 via cif-deposit CGI script.	4002727.cif