Crystallography Open Database

Information card for entry 4501859

Preview

Coordinates	4501859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H8 Fe O7 P S
Calculated formula	C2 H6 Fe O7 P S
Title of publication	Layered Iron(III) and Cobalt(II) Phosphonates Decorated by Hydrophilic Sulfone Groups: Syntheses, Structures and Magnetic Properties
Authors of publication	Du, Zi-Yi; Wen, He-Rui; Liu, Cai-Ming; Sun, Yu-Hui; Lu, Ying-Bing; Xie, Yong-Rong
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	8
Pages of publication	3721
a	11.935 ± 0.007 Å
b	7.395 ± 0.004 Å
c	9.756 ± 0.006 Å
α	90°
β	111.845 ± 0.007°
γ	90°
Cell volume	799.2 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0587
Weighted residual factors for significantly intense reflections	0.1436
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
179549 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/18.	4501859.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501859.cif
36138	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501859 via cif-deposit CGI script.	4501859.cif