Crystallography Open Database

Information card for entry 7227111

Preview

Coordinates	7227111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H32 Mn4 N8 O24
Calculated formula	C12 H31.9995 Mn4 N7.9998 O24
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	16.137 ± 0.005 Å
b	7.605 ± 0.003 Å
c	16.14 ± 0.005 Å
α	90°
β	119.984 ± 0.003°
γ	90°
Cell volume	1715.6 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
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.	7227111.cif
188455	2016-11-15	cif/ Adding structures of 7227105, 7227106, 7227107, 7227108, 7227109, 7227110, 7227111 via cif-deposit CGI script.	7227111.cif