Crystallography Open Database

Information card for entry 7047289

Preview

Coordinates	7047289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 Cl4 Co2 N4 O
Calculated formula	C19 H19 Cl4 Co2 N4 O
Title of publication	Photocatalytic reduction of CO<sub>2</sub> to CO and formate by a novel Co(ii) catalyst containing a cis-oxygen atom: photocatalysis and DFT calculations.
Authors of publication	Zhu, Cheng-Yi; Zhang, Ya-Qiong; Liao, Rong-Zhen; Xia, Wu; Hu, Jun-Chao; Wu, Jin; Liu, Hongfang; Wang, Feng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	37
Pages of publication	13142 - 13150
a	8.4062 ± 0.0012 Å
b	18.658 ± 0.003 Å
c	14.43 ± 0.002 Å
α	90°
β	99.338 ± 0.002°
γ	90°
Cell volume	2233.3 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0688
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1293
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
229303 (current)	2019-11-17	cif/ Updating files of 7047289 Original log message: Adding full bibliography for 7047289.cif.	7047289.cif
209893	2018-08-18	cif/ Adding structures of 7047289 via cif-deposit CGI script.	7047289.cif