Crystallography Open Database

Information card for entry 1550739

Preview

Coordinates	1550739.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	PBX
Formula	C23 H21 Cl3 Co2 N2 O6
Calculated formula	C23 H21 Cl3 Co2 N2 O6
SMILES	[Co]123(Cl)(Cl)[O]4[Co](Cl)([O]1c1c(C=[N]3c3c([N]2=Cc2c4c(OC)ccc2)cccc3)cccc1OC)([OH]C)[OH]C
Title of publication	Tracking Pyrolysis Process of a 3-MeOsalophen-ligand based Co2 Complex for Promoted Oxygen Evolution Reaction
Authors of publication	Pan, Bingxin; Peng, Xu; Wang, Yifan; An, Qi; Zhang, Xu; Zhang, Yuexing; Teets, Thomas S.; Zeng, Ming-Hua
Journal of publication	Chemical Science
Year of publication	2019
a	14.9719 ± 0.0004 Å
b	7.6746 ± 0.0003 Å
c	24.3948 ± 0.0006 Å
α	90°
β	91.371 ± 0.003°
γ	90°
Cell volume	2802.24 ± 0.15 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0972
Residual factor for significantly intense reflections	0.0854
Weighted residual factors for significantly intense reflections	0.239
Weighted residual factors for all reflections included in the refinement	0.2561
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
214096 (current)	2019-03-13	cif/ Adding structures of 1550739 via cif-deposit CGI script.	1550739.cif