Crystallography Open Database

Information card for entry 7224812

Preview

Coordinates	7224812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H26 N4 Ni O4
Calculated formula	C34 H26 N4 Ni O4
SMILES	[Ni]1234(Oc5c(C=[N]3c3c6[n]2cccc6ccc3)cccc5OC)Oc2c(C=[N]4c3cccc4ccc[n]1c34)cccc2OC
Title of publication	Mono- and di-nuclear nickel(II) complexes derived from NNO donor ligands: Syntheses, crystal structures and magnetic studies of dinuclear analogues
Authors of publication	Ghorai, Pravat; Chakraborty, Anindita; Panja, Anangamohan; Mondal, Tapan K.; Saha, Amrita
Journal of publication	RSC Adv.
Year of publication	2016
a	12.5834 ± 0.0007 Å
b	10.2983 ± 0.0006 Å
c	21.547 ± 0.0012 Å
α	90°
β	98.706 ± 0.003°
γ	90°
Cell volume	2760.1 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.1101
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1598
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
181507 (current)	2016-04-05	cif/ Adding structures of 7224812, 7224813, 7224814 via cif-deposit CGI script.	7224812.cif