Crystallography Open Database

Information card for entry 4066895

Preview

Coordinates	4066895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H15 Co O
Calculated formula	C11 H15 Co O
SMILES	[CH2]1=[CH]2COC[CH]3=[CH2][Co]4567123[cH]1[cH]4[cH]5[cH]6[cH]71
Title of publication	Highly Reactive Cyclopentadienylcobalt(I) Olefin Complexes
Authors of publication	Hapke, Marko; Weding, Nico; Spannenberg, Anke
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	19
Pages of publication	4298
a	11.3734 ± 0.0004 Å
b	7.482 ± 0.0003 Å
c	11.7728 ± 0.0005 Å
α	90°
β	106.919 ± 0.003°
γ	90°
Cell volume	958.45 ± 0.07 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
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	0.0314
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0461
Weighted residual factors for all reflections included in the refinement	0.0478
Goodness-of-fit parameter for all reflections included in the refinement	0.913
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
178560 (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 4/06/68.	4066895.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066895.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066895.cif
34015	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066893, 4066894, 4066895, 4066896 via cif-deposit CGI script.	4066895.cif