Crystallography Open Database

Information card for entry 4070645

Preview

Coordinates	4070645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H25 N O5 W
Calculated formula	C20 H25 N O5 W
SMILES	[W]123([N](C)=[C]1(C)c1ccccc1)(C#[O])(OC(=CC(=[O]2)C)C)OC(=CC(=[O]3)C)C
Title of publication	Reduction of π-Bound Nitriles to π-Bound Imines in a Tungsten(II) Bis(acetylacetonate) Coordination Sphere
Authors of publication	Jackson, Andrew B.; Khosla, Chetna; Gaskins, Helen E.; White, Peter S.; Templeton, Joseph L.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	6
Pages of publication	1322
a	8.3192 ± 0.0003 Å
b	14.2955 ± 0.0004 Å
c	17.0591 ± 0.0006 Å
α	90°
β	92.92°
γ	90°
Cell volume	2026.16 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.053
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1065
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
178595 (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 4/07/06.	4070645.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070645.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070645.cif
42613	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070645 via cif-deposit CGI script.	4070645.cif