Crystallography Open Database

Information card for entry 7224814

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Structure parameters

Formula	C35 H30 N10 Ni2 O5
Calculated formula	C35 H30 N10 Ni2 O5
SMILES	[Ni]1234(Oc5c(OC)cccc5C=[N]3c3cccc5c3[n]1ccc5)[O](c1cccc3c1[O]4[Ni]1([OH]C)([N]2=N#N)(N=N#N)[n]2c4c(cccc4ccc2)[N]1=C3)C
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	18.6631 ± 0.0005 Å
b	18.8121 ± 0.0005 Å
c	19.0739 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	6696.7 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7224814.cif
181507	2016-04-05	cif/ Adding structures of 7224812, 7224813, 7224814 via cif-deposit CGI script.	7224814.cif