Crystallography Open Database

Information card for entry 7716330

Preview

Coordinates	7716330.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cu(PBITA(ClO4)2
Formula	C51 H45 Cl7 Cu2 N12 O16
Calculated formula	C51 H45 Cl7 Cu2 N12 O16
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	11.8527 ± 0.0009 Å
b	15.5029 ± 0.0012 Å
c	16.7785 ± 0.0012 Å
α	90.574 ± 0.003°
β	104.148 ± 0.002°
γ	94.183 ± 0.003°
Cell volume	2980.4 ± 0.4 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1826
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.2019
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
293827 (current)	2024-08-05	cif/ Updating files of 7716330, 7716331 Original log message: Adding full bibliography for 7716330--7716331.cif.	7716330.cif
292264	2024-06-08	cif/ Adding structures of 7716330, 7716331 via cif-deposit CGI script.	7716330.cif