Crystallography Open Database

Information card for entry 4326745

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Coordinates	4326745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H3 Fe O4 P
Calculated formula	C2 H3 Fe O4 P
Title of publication	Divalent Metal Vinylphosphonate Layered Materials: Compositional Variability, Structural Peculiarities, Dehydration Behavior, and Photoluminescent Properties
Authors of publication	Rosario M. P. Colodrero; Aurelio Cabeza; Pascual Olivera-Pastor; Duane Choquesillo-Lazarte; Juan M. Garcia-Ruiz; Adele Turner; Gheorghe Ilia; Bianca Maranescu; Konstantinos E. Papathanasiou; Gary B. Hix; Konstantinos D. Demadis; Miguel A. G. Aranda
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	11202 - 11211
a	5.7012 ± 0.0009 Å
b	9.778 ± 0.002 Å
c	4.8049 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	267.86 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
179370 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/67.	4326745.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326745.cif
49519	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326745 via cif-deposit CGI script.	4326745.cif