Crystallography Open Database

Information card for entry 4104661

Preview

Coordinates	4104661.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	holkd22
Formula	C78 H126 Co2 N6 O2
Calculated formula	C78 H126 Co2 N6 O2
Title of publication	Cobalt-Dinitrogen Complexes with Weakened N-N Bonds
Authors of publication	Keying Ding; Aaron W. Pierpont; William W. Brennessel; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Thomas R. Cundari; Eckhard Bill; Patrick L. Holland
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	9471 - 9472
a	12.29 ± 0.002 Å
b	16.966 ± 0.003 Å
c	17.644 ± 0.003 Å
α	90°
β	93.728 ± 0.004°
γ	90°
Cell volume	3671.2 ± 1.1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
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	0.0623
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
178792 (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 4/10/46.	4104661.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104661.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104661.cif
29687	2011-11-04	../uploads/cif-deposit/cod/cif Adding structures of 4104661 via cif-deposit CGI script.	4104661.cif