Crystallography Open Database

Information card for entry 1558262

Preview

Coordinates	1558262.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H39 Co N2 O5 P
Calculated formula	C45 H39 Co N2 O5 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	10.53544 ± 0.00014 Å
b	12.59025 ± 0.00016 Å
c	15.1966 ± 0.0002 Å
α	79.8711 ± 0.0012°
β	86.4335 ± 0.0012°
γ	78.999 ± 0.0011°
Cell volume	1947 ± 0.05 Å³
Cell temperature	155 ± 0.1 K
Ambient diffraction temperature	155 ± 0.1 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	0.0599
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	1558262.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.	1558262.cif
252963	2020-06-06	cif/ Adding structures of 1558259, 1558260, 1558261, 1558262, 1558263, 1558264, 1558265 via cif-deposit CGI script.	1558262.cif