Crystallography Open Database

Information card for entry 7217837

Preview

Coordinates	7217837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H50 Br2 Cl4 Cu2 N6 O9
Calculated formula	C26 H40 Br2 Cl4 Cu2 N6 O9
SMILES	c1(ccc2c(c1)C=[N]1CC[N]3(CC[NH2+]CC3)[Cu]1(O2)(Cl)[Cl][Cu]12([N](=Cc3c(ccc(c3)Br)O2)CC[N]21CC[NH2+]CC2)Cl)Br.O.O.O.O.O.O.O.[Cl-]
Title of publication	Magneto-structural correlation, antioxidant, DNA interaction and growth inhibition activities of new chloro-bridged phenolate complexes
Authors of publication	Rahiman, Kalilur; Gurumoorthy, Perumal; Mahendiran, Dharmasivam; Parbhu, Durai; Arulvasu, Chinnasamy
Journal of publication	RSC Advances
Year of publication	2014
a	13.8391 ± 0.0004 Å
b	14.3968 ± 0.0004 Å
c	20.2234 ± 0.0007 Å
α	90°
β	98.674 ± 0.001°
γ	90°
Cell volume	3983.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0894
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.0923
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
180509 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/78.	7217837.cif
122605	2014-08-29	cif/ Adding structures of 7217837 via cif-deposit CGI script.	7217837.cif