Crystallography Open Database

Information card for entry 4334342

Preview

Coordinates	4334342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H71 N2 O5 P2 Re W4
Calculated formula	C53 H71 N2 O5 P2 Re W4
Title of publication	Low-Temperature N-O Bond Cleavage and Reversible N-P Bond Formation Processes in the Reactions of the Unsaturated Anions [M2(η5-C5H5)2(μ-PCy2)(μ-CO)2]- (M = Mo, W) with the Nitrosyl Complex [Re(η5-C5H4Me)(CO)2(NO)]+
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	3942 - 3952
a	16.843 ± 0.0008 Å
b	22.489 ± 0.0009 Å
c	15.6359 ± 0.0006 Å
α	90°
β	100.911 ± 0.004°
γ	90°
Cell volume	5815.5 ± 0.4 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	7
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	0.0719
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1595
Weighted residual factors for all reflections included in the refinement	0.173
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179446 (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 4/33/43.	4334342.cif
100160	2014-02-04	cif/ Adding structures of 4334342 via cif-deposit CGI script.	4334342.cif