Crystallography Open Database

Information card for entry 4304831

Preview

Coordinates	4304831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H12 Cl2 Fe N O5
Calculated formula	C5 H12 Cl2 Fe N O5
Title of publication	New Extended Magnetic Systems Based on Oxalate and Iron(III) Ions
Authors of publication	Donatella Armentano; Teresa F. Mastropietro; Giovanni De Munno; Patrizia Rossi; Francesc Lloret; Miguel Julve
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	3772 - 3786
a	8.1335 ± 0.0016 Å
b	8.5877 ± 0.0017 Å
c	17.729 ± 0.004 Å
α	90°
β	91.18 ± 0.03°
γ	90°
Cell volume	1238.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0806
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1511
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
179086 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/48.	4304831.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304831.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304831.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304831.cif