Crystallography Open Database

Information card for entry 4002722

Preview

Coordinates	4002722.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H10 Mn N2 O6
Calculated formula	C4.0002 H10.0008 Mn N2.0001 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	8.216 ± 0.0003 Å
b	8.216 ± 0.0003 Å
c	23.0005 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1344.59 ± 0.09 Å³
Cell temperature	330 ± 1 K
Ambient diffraction temperature	330 ± 1 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	0.0228
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.0512
Goodness-of-fit parameter for all reflections included in the refinement	1.191
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
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.	4002722.cif
192499	2017-03-01	cif/ Adding structures of 4002722, 4002723, 4002724 via cif-deposit CGI script.	4002722.cif