Crystallography Open Database

Information card for entry 4334341

Preview

Coordinates	4334341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H39 N O5 P Re W2
Calculated formula	C32 H39 N O5 P Re W2
SMILES	[W]1234([P](N([W]5678(=O)[cH]9[cH]8[cH]7[cH]6[cH]59)[Re]5678(C#[O])(C#[O])[c]9([cH]8[cH]7[cH]6[cH]59)C)(C5CCCCC5)C5CCCCC5)(C#[O])(C#[O])[cH]5[cH]2[cH]3[cH]1[cH]45
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	35.5058 ± 0.0019 Å
b	11.0077 ± 0.0004 Å
c	17.6403 ± 0.0009 Å
α	90°
β	113.516 ± 0.006°
γ	90°
Cell volume	6321.9 ± 0.6 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.15
Weighted residual factors for all reflections included in the refinement	0.1585
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	4334341.cif
100159	2014-02-04	cif/ Adding structures of 4334341 via cif-deposit CGI script.	4334341.cif