Crystallography Open Database

Information card for entry 7217838

Preview

Coordinates	7217838.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H28 Br Cl2 N3 Ni O4
Calculated formula	C15 H28 Br Cl1.998 N3 Ni O4
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	10.1699 ± 0.0004 Å
b	16.8523 ± 0.0008 Å
c	24.8924 ± 0.0011 Å
α	90°
β	98.768 ± 0.002°
γ	90°
Cell volume	4216.4 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
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.	7217838.cif
122606	2014-08-29	cif/ Adding structures of 7217838 via cif-deposit CGI script.	7217838.cif