Crystallography Open Database

Information card for entry 4335203

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Structure parameters

Formula	C30 H33 Fe2 O8 P W2
Calculated formula	C30 H33 Fe2 O8 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	9.3139 ± 0.0003 Å
b	16.3035 ± 0.0005 Å
c	10.4467 ± 0.0003 Å
α	90°
β	103.507 ± 0.002°
γ	90°
Cell volume	1542.45 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0668
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4335203.cif
179455	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.	4335203.cif
101111	2014-02-10	cif/ Adding structures of 4335203 via cif-deposit CGI script.	4335203.cif