Crystallography Open Database

Information card for entry 1573264

Preview

Coordinates	1573264.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(azido-κ<i>N</i>^1^)bis(2,2'-dipyridylamine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)iron(II) monohydrate
Formula	C20 H20 Fe N12 O
Calculated formula	C20 H20 Fe N12 O
SMILES	[Fe]12(N=N#N)([n]3ccccc3Nc3cccc[n]13)([n]1ccccc1Nc1cccc[n]21)N=N#N.O
Title of publication	Bis(azido-κN 1)bis(2,2′-dipyridylamine-κ2 N 1,N 1′)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	2024
Journal volume	9
Journal issue	11
Pages of publication	x241116
a	7.7496 ± 0.0005 Å
b	9.3778 ± 0.0006 Å
c	16.6178 ± 0.001 Å
α	79.516 ± 0.003°
β	83.962 ± 0.003°
γ	69.52 ± 0.003°
Cell volume	1111.33 ± 0.12 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0736
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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)	1573264.cif
296089	2024-11-23	cif/ Adding structures of 1573264 via cif-deposit CGI script.	1573264.cif