Crystallography Open Database

Information card for entry 4335204

Preview

Coordinates	4335204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H33 Fe2 O9 P W2
Calculated formula	C31 H33 Fe2 O9 P W2
Title of publication	Heterometallic Derivatives of the Unsaturated Ditungsten Hydride [W2(η5-C5H5)2(H)(μ-PCy2)(CO)2]
Authors of publication	M. Angeles Alvarez; M. Esther García; Miguel A. Ruiz; Adrián Toyos; M. Fernanda Vega
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7068 - 7077
a	9.2955 ± 0.0005 Å
b	16.2208 ± 0.0007 Å
c	21.1179 ± 0.0011 Å
α	90°
β	90.212 ± 0.002°
γ	90°
Cell volume	3184.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 0.1 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	0.0774
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0715
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
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
179455 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/52.	4335204.cif
101112	2014-02-10	cif/ Adding structures of 4335204 via cif-deposit CGI script.	4335204.cif