Crystallography Open Database

Information card for entry 4088069

Preview

Coordinates	4088069.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H39 Cl2 Co N4 O2
Calculated formula	C20 H39 Cl2 Co N4 O2
SMILES	[Co]123(Cl)([NH]4CCC[NH]1CC[NH]3CCC[NH]2CC4)C#CC(=C(C)C)C#C.[Cl-].OC.OC
Title of publication	Cobalt(III) Bridged by gem-DEE: Facile Access to a New Type of Cross-Conjugated Organometallics
Authors of publication	Natoli, Sean N.; Cook, Timothy D.; Abraham, Tara R.; Kiernicki, John J.; Fanwick, Phillip E.; Ren, Tong
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	21
Pages of publication	5207
a	10.6098 ± 0.0005 Å
b	17.5811 ± 0.0006 Å
c	12.7469 ± 0.0004 Å
α	90°
β	96.791 ± 0.002°
γ	90°
Cell volume	2361.02 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0886
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1825
Weighted residual factors for all reflections included in the refinement	0.1981
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
237243 (current)	2019-11-24	cif/ Adding structures of 4088068, 4088069, 4088070 via cif-deposit CGI script.	4088069.cif