Crystallography Open Database

Information card for entry 4318685

Preview

Coordinates	4318685.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(SBPy3)FeOFe(SBPy3)](ClO4)4^.^1.2acetone^.^0.8H2O
Formula	C43.6 H50.8 Cl4 Fe2 N10 O19
Calculated formula	C43.6 H49.2 Cl4 Fe2 N10 O19
Title of publication	Spontaneous Reduction of a Low-Spin Fe(III) Complex of a Neutral Pentadentate N5 Schiff Base Ligand to the Corresponding Fe(II) Species in Acetonitrile
Authors of publication	Apurba K. Patra; Marilyn M. Olmstead; Pradip K. Mascharak
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	5403 - 5409
a	12.543 ± 0.005 Å
b	13.258 ± 0.006 Å
c	19.381 ± 0.008 Å
α	94.408 ± 0.015°
β	95.638 ± 0.017°
γ	115.82 ± 0.02°
Cell volume	2861 ± 2 Å³
Cell temperature	91 ± 2 K
Ambient diffraction temperature	91 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1332
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.2402
Weighted residual factors for all reflections included in the refinement	0.2672
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4318685.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318685.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318685.cif
15406	2011-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4318685 via cif-deposit CGI script.	4318685.cif