Crystallography Open Database

Information card for entry 7062206

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Coordinates	7062206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 N2 Ni O2
Calculated formula	C24 H18 N2 Ni O2
Title of publication	New nickel(ii) Schiff base complexes as potential tools against SARS-CoV-2 Omicron target proteins: an in silico approach
Authors of publication	Kumar, Sunil; Choudhary, Mukesh
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	5
Pages of publication	2350 - 2371
a	17.6916 ± 0.0007 Å
b	8.179 ± 0.0003 Å
c	12.9474 ± 0.0004 Å
α	90°
β	99.983 ± 0.001°
γ	90°
Cell volume	1845.12 ± 0.11 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	5
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	0.0452
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0967
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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