Crystallography Open Database

Information card for entry 7018928

Preview

Coordinates	7018928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H54 N3 O3 P S Si2 W
Calculated formula	C22 H54 N3 O3 P S Si2 W
Title of publication	Reaction of N[triple bond, length as m-dash]W(O(t)Bu)(3) with σ(3)λ(5)-phosphoranes. The [2 + 2] cycloaddition across the W[triple bond, length as m-dash]N triple bond results in the first representative of an inorganic four-membered metallacycle with conjugated endo- and exocyclic double bonds.
Authors of publication	Kovalenko, Oleksandr O.; Kinzhybalo, Vasyl; Lis, Tadeusz; Khavryuchenko, Oleksiy V.; Rusanov, Eduard B.; Brusilovets, Anatolii I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	17
Pages of publication	5132 - 5136
a	19.321 ± 0.006 Å
b	10.967 ± 0.003 Å
c	32.293 ± 0.01 Å
α	90°
β	99.94 ± 0.03°
γ	90°
Cell volume	6740 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0619
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179893 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/89.	7018928.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018928.cif
55997	2012-05-08	cif/ Adding structures of 7018927, 7018928 via cif-deposit CGI script.	7018928.cif