Crystallography Open Database

Information card for entry 4064154

Preview

Coordinates	4064154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H20 Cr N O6
Calculated formula	C17 H20 Cr N O6
SMILES	[Cr](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])C(=C=C(CC)CC)C(=[N+](C)C)OCC
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	9.1653 ± 0.0018 Å
b	9.91 ± 0.002 Å
c	11.834 ± 0.002 Å
α	89.59 ± 0.03°
β	72.69 ± 0.03°
γ	66.44 ± 0.03°
Cell volume	932.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	4064154.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064154.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064154.cif
32804	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064153, 4064154, 4064155 via cif-deposit CGI script.	4064154.cif