Crystallography Open Database

Information card for entry 1556702

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Structure parameters

Chemical name	Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate
Formula	C42 H38 F4 N8 Ni O8
Calculated formula	C42 H38 F4 N8 Ni O8
SMILES	[Ni]1234([n]5c(cccc5C=[N]1Cc1ccc(F)cc1)C=[N]2Cc1ccc(F)cc1)[n]1c(cccc1C=[N]3Cc1ccc(F)cc1)C=[N]4Cc1ccc(F)cc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O
Title of publication	Bis{2,6-bis[(<i>E</i>)-(4-fluorobenzylimino)methyl]pyridine}nickel(II) dinitrate dihydrate
Authors of publication	Johnson, Corey R.; Basaran, Ismet; Rhaman, Md Mhahabubur; Powell, Douglas R.; Hossain, Md. Alamgir
Journal of publication	IUCrData
Year of publication	2019
Journal volume	4
Journal issue	12
Pages of publication	x191688
a	17.0353 ± 0.0013 Å
b	18.7759 ± 0.0014 Å
c	25.4659 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	8145.3 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0432
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
245483 (current)	2019-12-21	cif/ hkl/ Adding structures of 1556702 via cif-deposit CGI script.	1556702.cif 1556702.hkl