Crystallography Open Database

Information card for entry 1565780

Preview

Coordinates	1565780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 Cl2 Co N4 O6
Calculated formula	C26 H20 Cl2 Co N4 O6
SMILES	c1c(ccc[n]1[Co]([OH2])(OC(=O)c1ccccc1Cl)([n]1cc(ccc1)C#N)([OH2])OC(=O)c1ccccc1Cl)C#N
Title of publication	Antiproliferative evaluation and supramolecular association involving electrostatically enhanced π-π interaction in isostructural coordination solids of Mn(II), Co(II) and Zn(II) chlorobenzoates: Experimental and theoretical studies
Authors of publication	Nashre-ul-Islam, Swah Mohd.; Dutta, Debajit; Verma, Akalesh K.; Nath, Hiren; Frontera, Antonio; Sharma, Pranay; Bhattacharyya, Manjit K.
Journal of publication	Inorganica Chimica Acta
Year of publication	2019
Journal volume	498
Pages of publication	119161
a	7.0876 ± 0.0002 Å
b	13.6906 ± 0.0004 Å
c	14.1247 ± 0.0004 Å
α	90°
β	101.261 ± 0.002°
γ	90°
Cell volume	1344.18 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0376
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0842
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
271466 (current)	2021-12-16	cif/ Adding structures of 1565780 via cif-deposit CGI script.	1565780.cif