Crystallography Open Database

Information card for entry 7205884

7205883 << 7205884 >> 7205885

Preview

Coordinates	7205884.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(((2PyHCH2PO3H)Fe(H2O))ClO4)n
Formula	C12 H20 Cl2 Fe N2 O16 P2
Calculated formula	C12 H20 Cl2 Fe N2 O15.98 P2
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	13.517 ± 0.0008 Å
b	8.2636 ± 0.0004 Å
c	10.391 ± 0.0004 Å
α	90°
β	97.108 ± 0.004°
γ	90°
Cell volume	1151.75 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.1014
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for significantly intense reflections	0.2291
Weighted residual factors for all reflections included in the refinement	0.2536
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
180389 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/58.	7205884.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205884.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205884.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.	7205884.cif