Crystallography Open Database

Information card for entry 4120606

4120605 << 4120606 >> 4120607

Preview

Coordinates	4120606.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	KCo(py3tren)
Formula	C21 H24 Co K N7
Calculated formula	C21 H24 Co K N7
Title of publication	Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.
Authors of publication	Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	5
Pages of publication	1842 - 1855
a	12.955 ± 0.002 Å
b	16.21 ± 0.003 Å
c	21.245 ± 0.003 Å
α	90°
β	106.123 ± 0.002°
γ	90°
Cell volume	4286 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1318
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1667
Goodness-of-fit parameter for all reflections included in the refinement	0.939
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
178983 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/06.	4120606.cif
106618	2014-03-15	cif/ Adding structures of 4120601, 4120602, 4120603, 4120604, 4120605, 4120606 via cif-deposit CGI script.	4120606.cif