Crystallography Open Database

Information card for entry 4064155

Preview

Coordinates	4064155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H28 N4 O5 W
Calculated formula	C29 H28 N4 O5 W
SMILES	[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C#CC(c1n(cc[n+]1C)C)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
Title of publication	Amino-Substituted Butatrienes: Unusual η1Ligands Formed by an Unusual Reaction†
Authors of publication	Reichmann, Bernhard; Drexler, Matthias; Weibert, Bernhard; Szesni, Normen; Strittmatter, Tobias; Fischer, Helmut
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	5
Pages of publication	1215
a	12.5 ± 0.003 Å
b	16.028 ± 0.003 Å
c	14.1 ± 0.003 Å
α	90°
β	95.04 ± 0.03°
γ	90°
Cell volume	2814 ± 1.1 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
178535 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/41.	4064155.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064155.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064155.cif
32804	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064153, 4064154, 4064155 via cif-deposit CGI script.	4064155.cif