Crystallography Open Database

Information card for entry 1566376

Preview

Coordinates	1566376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H19 Cl2 Co N3 O
Calculated formula	C15 H19 Cl2 Co N3 O
SMILES	[Co]1(Cl)(Cl)N(c2cccc3ccc[n]1c23)C(=O)C[NH+](CC)CC
Title of publication	Room temperature Z-selective hydrogenation of alkynes by hemilabile and non-innocent (NNN)Co(ii) catalysts
Authors of publication	Sharma, Dipesh M.; Gouda, Chandrakant; Gonnade, Rajesh G.; Punji, Benudhar
Journal of publication	Catalysis Science & Technology
Year of publication	2022
Journal volume	12
Journal issue	6
Pages of publication	1843 - 1849
a	7.3409 ± 0.0003 Å
b	8.2378 ± 0.0003 Å
c	14.1911 ± 0.0006 Å
α	77.242 ± 0.001°
β	85.133 ± 0.002°
γ	77.261 ± 0.001°
Cell volume	815.8 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0193
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0467
Weighted residual factors for all reflections included in the refinement	0.0475
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
274940 (current)	2022-05-05	cif/ Updating files of 1566376, 1566377 Original log message: Adding full bibliography for 1566376--1566377.cif.	1566376.cif
273029	2022-02-19	cif/ Adding structures of 1566376, 1566377 via cif-deposit CGI script.	1566376.cif