Crystallography Open Database

Information card for entry 1574932

Preview

Coordinates	1574932.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tris(2,2'-bipyridine)iron(II) tris(dicyanomethylidene)methanediide
Formula	C40 H24 Fe N12
Calculated formula	C40 H24 Fe N12
Title of publication	Tris(2,2′-bipyridine)iron(II) tris(dicyanomethylidene)methanediide
Authors of publication	Messalti, Said Abdelghafour; Setifi, Fatima; Böhme, Uwe; Setifi, Zouaoui; Al-Douh, Mohammad Hadi
Journal of publication	IUCrData
Year of publication	2025
Journal volume	10
Journal issue	6
Pages of publication	x250503
a	17.0276 ± 0.0003 Å
b	17.0276 ± 0.0003 Å
c	21.6388 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	5433.39 ± 0.18 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0913
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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)	1574932.cif
300229	2025-06-26	cif/ Adding structures of 1574932 via cif-deposit CGI script.	1574932.cif