Crystallography Open Database

Information card for entry 4076297

Preview

Coordinates	4076297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H27 N3 O4 W2
Calculated formula	C23 H27 N3 O4 W2
Title of publication	Addition of Ynamines to the Tungsten η1-Vinylidene Complexes (η5-C5H5)(NO)(CO)WCC(H)R
Authors of publication	Ipaktschi, Junes; Mohseni-Ala, Javad; Dülmer, Ansgar; Steffens, Stefan; Wittenburg, Christian; Heck, Jürgen
Journal of publication	Organometallics
Year of publication	2004
Journal volume	23
Journal issue	21
Pages of publication	4902
a	7.6651 ± 0.0004 Å
b	19.0172 ± 0.0011 Å
c	16.2974 ± 0.001 Å
α	90°
β	98.941 ± 0.007°
γ	90°
Cell volume	2346.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0489
Weighted residual factors for all reflections included in the refinement	0.0519
Goodness-of-fit parameter for all reflections included in the refinement	0.945
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
178651 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/62.	4076297.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4076297.cif
51748	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4076297 via cif-deposit CGI script.	4076297.cif