Crystallography Open Database

Information card for entry 4081741

Preview

Structure parameters

Formula	C35 H48 Co N2
Calculated formula	C35 H48 Co N2
SMILES	[Co]123456([N](=C(C(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[c]1(C)[cH]2[cH]3[cH]4[cH]5[cH]61
Title of publication	Synthesis and Characterization of Cobalt Complexes with Radical Anionic α-Diimine Ligands
Authors of publication	Yang, Xiao-Juan; Fan, Xiaohui; Zhao, Yanxia; Wang, Xuting; Liu, Bin; Su, Ji-Hu; Dong, Qingsong; Xu, Maolin; Wu, Biao
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	23
Pages of publication	6945
a	12.737 ± 0.002 Å
b	15.005 ± 0.003 Å
c	17.11 ± 0.003 Å
α	93.252 ± 0.002°
β	93.723 ± 0.002°
γ	100.647 ± 0.002°
Cell volume	3199.1 ± 1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1601
Weighted residual factors for all reflections included in the refinement	0.1721
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4081741.cif
178706	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/17.	4081741.cif
91748	2013-12-13	cif/ Adding structures of 4081740, 4081741, 4081742 via cif-deposit CGI script.	4081741.cif