Crystallography Open Database

Information card for entry 4002717

Preview

Coordinates	4002717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H10 N2 O6 Zn
Calculated formula	C3.9999 H9.9993 N1.9998 O6 Zn
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	8.0633 ± 0.0003 Å
b	8.0633 ± 0.0003 Å
c	22.2638 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1253.59 ± 0.09 Å³
Cell temperature	180 ± 1 K
Ambient diffraction temperature	179.91 ± 0.18 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	0.0141
Residual factor for significantly intense reflections	0.0133
Weighted residual factors for significantly intense reflections	0.0335
Weighted residual factors for all reflections included in the refinement	0.0338
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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.	4002717.cif
192496	2017-03-01	cif/ Adding structures of 4002715, 4002716, 4002717 via cif-deposit CGI script.	4002717.cif