Crystallography Open Database

Information card for entry 4106166

Preview

Coordinates	4106166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F9 Fe4 H12 N3 O8 P2
Calculated formula	F9 Fe4 H9 N3 O8 P2
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	7.1286 ± 0.0005 Å
b	14.455 ± 0.0009 Å
c	7.5552 ± 0.0004 Å
α	90°
β	106.741 ± 0.004°
γ	90°
Cell volume	745.52 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1778
Residual factor for significantly intense reflections	0.107
Weighted residual factors for significantly intense reflections	0.1879
Weighted residual factors for all reflections included in the refinement	0.2258
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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.	4106166.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106166.cif
52957	2012-04-16	../uploads/cif-deposit/cod/cif Adding structures of 4106166 via cif-deposit CGI script.	4106166.cif