Crystallography Open Database

Information card for entry 7227108

Preview

Coordinates	7227108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H8 Mn N2 O6
Calculated formula	C3 H7.9995 Mn N1.9998 O6
Title of publication	Effect of solvent, temperature and pressure on the stability of chiral and perovskite metal formate frameworks of [NH2NH3][M(HCOO)3] (M = Mn, Fe, Zn).
Authors of publication	Mączka, Mirosław; Pasińska, Katarzyna; Ptak, Maciej; Paraguassu, Waldeci; da Silva, Tercio Almeida; Sieradzki, Adam; Pikul, Adam
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2016
Journal volume	18
Journal issue	46
Pages of publication	31653 - 31663
a	7.988 ± 0.003 Å
b	7.988 ± 0.003 Å
c	7.807 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	431.4 ± 0.3 Å³
Cell temperature	310 ± 2 K
Ambient diffraction temperature	310 ± 2 K
Number of distinct elements	5
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0185
Residual factor for significantly intense reflections	0.0171
Weighted residual factors for significantly intense reflections	0.0415
Weighted residual factors for all reflections included in the refinement	0.0419
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
190280 (current)	2017-01-09	cif/ Updating files of 7227105, 7227106, 7227107, 7227108, 7227109, 7227110, 7227111 Original log message: Adding full bibliography for 7227105--7227111.cif.	7227108.cif
188455	2016-11-15	cif/ Adding structures of 7227105, 7227106, 7227107, 7227108, 7227109, 7227110, 7227111 via cif-deposit CGI script.	7227108.cif