Crystallography Open Database

Information card for entry 1558264

Preview

Coordinates	1558264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H41 Cl4 Co N6 O3
Calculated formula	C53 H41 Cl4 Co N6 O3
Title of publication	Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.
Authors of publication	Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.
Journal of publication	Chemical science
Year of publication	2020
Journal volume	11
Journal issue	23
Pages of publication	6085 - 6096
a	11.6863 ± 0.0007 Å
b	20.5971 ± 0.0008 Å
c	19.6222 ± 0.0009 Å
α	90°
β	106.514 ± 0.006°
γ	90°
Cell volume	4528.3 ± 0.4 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0898
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1809
Weighted residual factors for all reflections included in the refinement	0.1965
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
256047 (current)	2020-09-06	cif/ Updating files of 1558259, 1558260, 1558261, 1558262, 1558263, 1558264, 1558265 Original log message: Adding full bibliography for 1558259--1558265.cif.	1558264.cif
253847	2020-07-06	cif/ Updating files of 1558259, 1558260, 1558261, 1558262, 1558263, 1558264, 1558265 Original log message: Adding full bibliography for 1558259--1558265.cif.	1558264.cif
252963	2020-06-06	cif/ Adding structures of 1558259, 1558260, 1558261, 1558262, 1558263, 1558264, 1558265 via cif-deposit CGI script.	1558264.cif