Crystallography Open Database

Information card for entry 4106168

Preview

Coordinates	4106168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F3 H4 Mn N O3 P
Calculated formula	F3 H4 Mn N O3 P
Title of publication	Fluoride-Rich, Hydrofluorothermal Routes to Functional Transition Metal (Mn, Fe, Co, Cu) Fluorophosphates
Authors of publication	Jennifer A. Armstrong; Edward R. Williams; Mark T. Weller
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	8252 - 8263
a	5.3999 ± 0.0002 Å
b	13.1644 ± 0.0006 Å
c	7.4117 ± 0.0003 Å
α	90°
β	107.501 ± 0.003°
γ	90°
Cell volume	502.48 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	0.928
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
178807 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/61.	4106168.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106168.cif
52959	2012-04-16	../uploads/cif-deposit/cod/cif Adding structures of 4106168 via cif-deposit CGI script.	4106168.cif