Crystallography Open Database

Information card for entry 7005030

Preview

Coordinates	7005030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H11 Cr N O6
Calculated formula	C11 H11 Cr N O6
SMILES	[Cr](=C(C=C(NC)C)OC)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Preparing alpha,beta-unsaturated Fischer-type carbene complexes via an unforeseen route.
Authors of publication	Stander, Elzet; Cronje, Stephanie; Raubenheimer, Helgard G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	4
Pages of publication	424 - 429
a	10.4705 ± 0.0007 Å
b	6.7453 ± 0.0005 Å
c	18.4712 ± 0.0013 Å
α	90°
β	93.13 ± 0.001°
γ	90°
Cell volume	1302.61 ± 0.16 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	0.0366
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
179754 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/50.	7005030.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005030.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005030.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005030.cif