Crystallography Open Database

Information card for entry 1558263

Preview

Coordinates	1558263.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H61 Co N2 O6 P
Calculated formula	C55 H61 Co N2 O6 P
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	13.10757 ± 0.00017 Å
b	22.2355 ± 0.0003 Å
c	16.9979 ± 0.0002 Å
α	90°
β	101.054 ± 0.0014°
γ	90°
Cell volume	4862.18 ± 0.11 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1314
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1558263.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.	1558263.cif
252963	2020-06-06	cif/ Adding structures of 1558259, 1558260, 1558261, 1558262, 1558263, 1558264, 1558265 via cif-deposit CGI script.	1558263.cif