Crystallography Open Database

Information card for entry 7716331

Preview

Coordinates	7716331.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Cu(MePBITA)]2ClO4
Formula	C20.8 H19.2 Cl1.6 Cu0.8 N4.8 O6.4
Calculated formula	C20.8 H19.2 Cl1.6 Cu0.8 N4.8 O6.4
Title of publication	Mononuclear copper(II) complexes with polypyridyl ligands: synthesis, characterization, DNA interactions/cleavages and <i>in vitro</i> cytotoxicity towards human cancer cells.
Authors of publication	Muley, Arabinda; Kumbhakar, Sadananda; Raut, Rajnikant; Mathur, Shobhit; Roy, Indrajit; Saini, Taruna; Misra, Ashish; Maji, Somnath
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	28
Pages of publication	11697 - 11712
a	15.9793 ± 0.0004 Å
b	9.6309 ± 0.0002 Å
c	18.7031 ± 0.0004 Å
α	90°
β	97.713 ± 0.002°
γ	90°
Cell volume	2852.27 ± 0.11 Å³
Cell temperature	298 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0996
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.1636
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293827 (current)	2024-08-05	cif/ Updating files of 7716330, 7716331 Original log message: Adding full bibliography for 7716330--7716331.cif.	7716331.cif
292264	2024-06-08	cif/ Adding structures of 7716330, 7716331 via cif-deposit CGI script.	7716331.cif