Crystallography Open Database

Information card for entry 4106170

Preview

Coordinates	4106170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu3 F4 H8 N2 O12 P4
Calculated formula	Cu3 F4 H8 N2 O12 P4
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	7.8246 ± 0.0007 Å
b	9.494 ± 0.0008 Å
c	9.1169 ± 0.0008 Å
α	90°
β	94.87 ± 0.005°
γ	90°
Cell volume	674.82 ± 0.1 Å³
Cell temperature	120 ± 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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.	4106170.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106170.cif
52961	2012-04-16	../uploads/cif-deposit/cod/cif Adding structures of 4106170 via cif-deposit CGI script.	4106170.cif