Crystallography Open Database

Information card for entry 4501860

Preview

Coordinates	4501860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H32 Co4 O26 P4 S4
Calculated formula	C8 H20 Co4 O26 P4 S4
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	8.4557 ± 0.0007 Å
b	13.2169 ± 0.0012 Å
c	28.218 ± 0.003 Å
α	90°
β	102.063 ± 0.007°
γ	90°
Cell volume	3084 ± 0.5 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	0.1523
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.1741
Weighted residual factors for all reflections included in the refinement	0.1957
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	4501860.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501860.cif
36139	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501860 via cif-deposit CGI script.	4501860.cif