Crystallography Open Database

Information card for entry 7062320

Preview

Coordinates	7062320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H25 Cl2 Co N3
Calculated formula	C20 H25 Cl2 Co N3
SMILES	c1c(cccc1)[N]1=C2CCCc3c2[n]2c(cc3)C[N](CC)(CC)[Co]12(Cl)Cl
Title of publication	Hydrosilylative reduction of secondary amides to amines catalyzed by geometry-constrained NNN-cobalt complexes
Authors of publication	Dong, Shuting; Zong, Zhijian; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan; Jin, Liqun
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	12
Pages of publication	5603 - 5610
a	11.1324 ± 0.0003 Å
b	11.1382 ± 0.0003 Å
c	16.7579 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2077.89 ± 0.1 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0362
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	0.913
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283422 (current)	2023-05-05	cif/ Updating files of 7062320 Original log message: Adding full bibliography for 7062320.cif.	7062320.cif
281124	2023-02-24	cif/ Adding structures of 7062320 via cif-deposit CGI script.	7062320.cif