Crystallography Open Database

Information card for entry 1574194

Preview

Coordinates	1574194.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(azido-κ<i>N</i>)bis(quinolin-8-amine-κ^2^<i>N</i>,<i>N</i>')iron(II) monohydrate
Formula	C18 H18 Fe N10 O
Calculated formula	C18 H18 Fe N10 O
SMILES	[Fe]12(N=N#N)(N=N#N)([n]3cccc4cccc(c34)[NH2]1)[n]1cccc3cccc(c13)[NH2]2.O
Title of publication	Bis(azido-κN)bis(quinolin-8-amine-κ2 N,N′)iron(II) monohydrate
Authors of publication	Setifi, Fatima; Setifi, Zouaoui; Reuter, Hans; Al-Douh, Mohammad Hadi; Addala, Abderezak
Journal of publication	IUCrData
Year of publication	2025
Journal volume	10
Journal issue	3
Pages of publication	x250235
a	32.5164 ± 0.0015 Å
b	8.8531 ± 0.0005 Å
c	13.5952 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3913.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0926
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	0.932
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
300370 (current)	2025-07-05	Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	1574194.cif
298539	2025-03-20	cif/ Adding structures of 1574194 via cif-deposit CGI script.	1574194.cif