Crystallography Open Database

Information card for entry 8103231

Preview

Coordinates	8103231.cif

Structure parameters

Formula	C110 H90 Cl10 Fe4 O10 P6
Calculated formula	C110 H90 Cl10 Fe4 O10 P6
Title of publication	Crystal structure of (?-oxalato)bis[chlorotris(triphenylphosphine oxide-O)iron(III)] tetrachloroferrate(III), [FeCl(C18H15PO)3][C2O4][FeCl4]
Authors of publication	Zhi-Fang Zhang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	486
a	10.672 ± 0.007 Å
b	15.74 ± 0.01 Å
c	16.709 ± 0.01 Å
α	78.803 ± 0.008°
β	85.771 ± 0.009°
γ	81.857 ± 0.009°
Cell volume	2722 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0957
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1479
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8103231.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8103231.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103231.cif
32573	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103231 via cif-deposit CGI script.	8103231.cif