Crystallography Open Database

Information card for entry 4104814

Preview

Coordinates	4104814.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	holkd18
Chemical name	potassium (diketiminate)cobalt(I) hydride
Formula	C78 H123 Co2 K2 N4
Calculated formula	C78 H123 Co2 K2 N4
SMILES	[CoH]1N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C.[K+].CCCCC.c1ccccc1
Title of publication	Three-Coordinate and Four-Coordinate Cobalt Hydride Complexes That React with Dinitrogen
Authors of publication	Keying Ding; William W. Brennessel; Patrick L. Holland
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	10804 - 10805
a	14.078 ± 0.002 Å
b	15.47 ± 0.002 Å
c	19.469 ± 0.003 Å
α	75.232 ± 0.002°
β	69.676 ± 0.002°
γ	77.776 ± 0.002°
Cell volume	3809.1 ± 0.9 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0865
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
178794 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/48.	4104814.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104814.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104814.cif
29844	2011-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4104814 via cif-deposit CGI script.	4104814.cif