Crystallography Open Database

Information card for entry 7229318

Preview

Coordinates	7229318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H100 Cl9 Cu4 N12 O24
Calculated formula	C88 H100 Cl9 Cu4 N12 O24
Title of publication	Biological evaluation of dinuclear copper complex/dichloroacetic acid cocrystal against human breast cancer: design, synthesis, characterization, DFT studies and cytotoxicity assays
Authors of publication	Usman, Mohammad; Arjmand, Farukh; Khan, Rais Ahmad; Alsalme, Ali; Ahmad, Musheer; Tabassum, Sartaj
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	76
Pages of publication	47920
a	12.79 ± 0.005 Å
b	14.351 ± 0.005 Å
c	15.034 ± 0.005 Å
α	109.079 ± 0.005°
β	91.48 ± 0.005°
γ	114.551 ± 0.005°
Cell volume	2329.8 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0898
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.2178
Weighted residual factors for all reflections included in the refinement	0.2229
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
201971 (current)	2017-10-13	cif/ Adding structures of 7229318 via cif-deposit CGI script.	7229318.cif