Crystallography Open Database

Information card for entry 7706369

Preview

Coordinates	7706369.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 Cl2 Co N4
Calculated formula	C22 H20 Cl2 Co N4
SMILES	[Co]123([n]4ccccc4C[N]3(Cc3[n]2cc2c(c3)cccc2)Cc2[n]1cccc2)(Cl)Cl
Title of publication	Polypyridyl Co complex-based water reduction catalysts: why replace a pyridine group with isoquinoline rather than quinoline?
Authors of publication	Guo, Xusheng; Li, Chao; Wang, Weibo; Hou, Yuanjun; Zhang, Baowen; Wang, Xuesong; Zhou, Qianxiong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	6
Pages of publication	2042 - 2049
a	17.0415 ± 0.0016 Å
b	8.9433 ± 0.0009 Å
c	16.9729 ± 0.0019 Å
α	90°
β	90.314 ± 0.004°
γ	90°
Cell volume	2586.8 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1856
Weighted residual factors for all reflections included in the refinement	0.1968
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
262641 (current)	2021-03-05	cif/ Updating files of 7706369, 7706370 Original log message: Adding full bibliography for 7706369--7706370.cif.	7706369.cif
260873	2021-01-09	cif/ Adding structures of 7706369, 7706370 via cif-deposit CGI script.	7706369.cif