Crystallography Open Database

Information card for entry 7703688

Preview

Coordinates	7703688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H11 Cl3 Co N4
Calculated formula	C18 H11 Cl3 Co N4
SMILES	[Co]12(Cl)(Cl)[n]3c(N=[N]1c1ccc(Cl)cc1)ccc1c3c3[n]2cccc3cc1
Title of publication	Cobalt complexes of redox noninnocent azo-aromatic pincers. Isolation, characterization, and application as catalysts for the synthesis of quinazolin-4(3H)-ones.
Authors of publication	Sinha, Suman; Das, Siuli; Mondal, Rakesh; Mandal, Sutanuva; Paul, Nanda D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	25
Pages of publication	8448 - 8459
a	8.9454 ± 0.0009 Å
b	9.7562 ± 0.0009 Å
c	10.7268 ± 0.001 Å
α	89.496 ± 0.004°
β	87.482 ± 0.005°
γ	71.661 ± 0.004°
Cell volume	887.74 ± 0.15 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
253898 (current)	2020-07-06	cif/ Updating files of 7703688, 7703689, 7703690 Original log message: Adding full bibliography for 7703688--7703690.cif.	7703688.cif
249066	2020-03-05	cif/ Adding structures of 7703688, 7703689, 7703690 via cif-deposit CGI script.	7703688.cif