Crystallography Open Database

Information card for entry 4065067

Preview

Coordinates	4065067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H36 B9 Co Fe2 O S2
Calculated formula	C31 H36 B9 Co Fe2 O S2
Title of publication	Reactivity of the 16-Electron CpCo versus Cp*Co Half-Sandwich Complex Containing ano-Carborane-1,2-dithiolate Ligand toward Ethynylferrocene
Authors of publication	Bai, Wenjuan; Liu, Guifeng; Guoyiqibayi, Gulnisa; Yan, Hong
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	19
Pages of publication	5188
a	12.0829 ± 0.0008 Å
b	21.2557 ± 0.0013 Å
c	13.5383 ± 0.0009 Å
α	90°
β	105.001 ± 0.001°
γ	90°
Cell volume	3358.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0447
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178503 (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 4/06/50.	4065067.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065067.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065067.cif
33150	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4065066, 4065067, 4065068, 4065069, 4065070 via cif-deposit CGI script.	4065067.cif