Crystallography Open Database

Information card for entry 1558085

Preview

Coordinates	1558085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H48 Cl2 Co2 N4 O12
Calculated formula	C45 H48 Cl2 Co2 N4 O12
Title of publication	Carboxylate breaks the arene C‒H bond via a hydrogen-atom-transfer mechanism in electrochemical cobalt catalysis
Authors of publication	Chen, Xin-Ran; Zhang, Shuo-Qing; Meyer, Tjark H.; Yang, Chun-Hui; Zhang, Qin-Hao; Liu, Ji-Ren; Xu, Hua-Jian; Cao, Fa-He; Ackermann, Lutz; Hong, Xin
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	22
Pages of publication	5790 - 5796
a	18.88 ± 0.014 Å
b	7.915 ± 0.008 Å
c	30.41 ± 0.06 Å
α	90°
β	98.22 ± 0.04°
γ	90°
Cell volume	4498 ± 11 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1265
Residual factor for significantly intense reflections	0.1113
Weighted residual factors for significantly intense reflections	0.2499
Weighted residual factors for all reflections included in the refinement	0.2562
Goodness-of-fit parameter for all reflections included in the refinement	1.279
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
257294 (current)	2020-10-06	cif/ Updating files of 1558085 Original log message: Adding full bibliography for 1558085.cif.	1558085.cif
253836	2020-07-06	cif/ Updating files of 1558085 Original log message: Adding full bibliography for 1558085.cif.	1558085.cif
252189	2020-05-20	cif/ Adding structures of 1558085 via cif-deposit CGI script.	1558085.cif