Crystallography Open Database

Information card for entry 4086166

Preview

Coordinates	4086166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H31 N2 O5 P S Si2 W
Calculated formula	C17 H31 N2 O5 P S Si2 W
SMILES	[W]([S]=P(=C(N(C)C)N(C)C)C([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Formation of Transient and Stable 1,3-Dipole Complexes with P,S,C and S,P,C Ligand Skeletons
Authors of publication	Streubel, Rainer; Faßbender, Jan; Schnakenburg, Gregor; Espinosa Ferao, Arturo
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	13
Pages of publication	3103
a	11.4245 ± 0.0004 Å
b	10.8185 ± 0.0004 Å
c	22.6384 ± 0.0006 Å
α	90°
β	112.729 ± 0.002°
γ	90°
Cell volume	2580.73 ± 0.15 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
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	0.0464
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0425
Weighted residual factors for all reflections included in the refinement	0.0477
Goodness-of-fit parameter for all reflections included in the refinement	0.758
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4086166.cif
152775	2015-08-05	cif/ Adding structures of 4086165, 4086166 via cif-deposit CGI script.	4086166.cif