Crystallography Open Database

Information card for entry 1549589

Preview

Coordinates	1549589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H23 Br2 Co N3 O2
Calculated formula	C15 H23 Br2 Co N3 O2
SMILES	Br[Co]12([N]3(CCOCC3)Cc3[n]1c(ccc3)C[N]12CCOCC1)Br
Title of publication	Direct access toN-alkylated amines and iminesviaacceptorless dehydrogenative coupling catalyzed by a cobalt(ii)-NNN pincer complex
Authors of publication	Midya, Siba P.; Pitchaimani, Jayaraman; Landge, Vinod G.; Madhu, Vedichi; Balaraman, Ekambaram
Journal of publication	Catalysis Science & Technology
Year of publication	2018
Journal volume	8
Journal issue	14
Pages of publication	3469
a	10.2514 ± 0.0004 Å
b	14.6308 ± 0.0006 Å
c	12.6552 ± 0.0005 Å
α	90°
β	92.105 ± 0.004°
γ	90°
Cell volume	1896.82 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0762
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
227972 (current)	2019-11-17	cif/ Updating files of 1549589, 1549590 Original log message: Adding full bibliography for 1549589--1549590.cif.	1549589.cif
208593	2018-06-22	cif/ Adding structures of 1549589, 1549590 via cif-deposit CGI script.	1549589.cif