Crystallography Open Database

Information card for entry 7205882

7205881 << 7205882 >> 7205883

Preview

Coordinates	7205882.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Fe4(PyHCH2PO3)4(H2O)12(Cl)(ClO4)7xH2O)
Formula	C24 H54 Cl8 Fe4 N4 O53 P4
Calculated formula	C24 H52 Cl8 Fe4 N4 O53 P4
Title of publication	2-Pyridylmethylphosphonic acid: a flexible, multi-dentate ligand for metal phosphonates
Authors of publication	Zavras, Athanasios; Fry, Julie A.; Beavers, Christine M.; Talbo, Gert H.; Richards, Anne F.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	10
Pages of publication	3551
a	11.051 ± 0.003 Å
b	14.563 ± 0.004 Å
c	20.651 ± 0.006 Å
α	90°
β	92.526 ± 0.006°
γ	90°
Cell volume	3320.3 ± 1.6 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0971
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1756
Weighted residual factors for all reflections included in the refinement	0.2009
Goodness-of-fit parameter for all reflections included in the refinement	0.996
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7205882.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205882.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205882.cif
21042	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7205880, 7205881, 7205882, 7205883, 7205884, 7205885, 7205886, 7205887 via cif-deposit CGI script.	7205882.cif