Crystallography Open Database

Information card for entry 7063889

Preview

Coordinates	7063889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H46 Br2 N12 Ni2 O4
Calculated formula	C32 H46 Br2 N12 Ni2 O4
Title of publication	Experimental and Theoretical Studies on Piperidine Based Heteroleptic Schiff base Ni(II) and Cu(II) Complexes Investigating DNA/Protein Binding and Anticancer Activities
Authors of publication	Mukherjee, Somali; Ari, Biman; Das, Manik; Basak, Deblina; Bera, Analava; Biswas, Arunima; Kundu, Pronab; Brandão, Paula; Mondal, Shrabani; Samanta, Bidhan Chandra; Maity, Tithi
Journal of publication	New Journal of Chemistry
Year of publication	2025
a	10.6529 ± 0.0007 Å
b	21.2436 ± 0.0013 Å
c	8.6654 ± 0.0006 Å
α	90°
β	90.147 ± 0.003°
γ	90°
Cell volume	1961 ± 0.2 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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	0.0354
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0819
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
300379 (current)	2025-07-06	cif/ Adding structures of 7063888, 7063889 via cif-deposit CGI script.	7063889.cif