Crystallography Open Database

Information card for entry 2242590

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Structure parameters

Chemical name	<i>fac</i>-Bis[bis(pyridin-2-yl)methanamine]iron(II) 1,1,3,3-tetracyano-2-(dicyanomethylene)propane-1,3-diide, [Fe(dipa)~2~](tcpd)
Formula	C32 H22 Fe N12
Calculated formula	C32 H22 Fe N12
Title of publication	Crystal structure of <i>fac</i>-bis[bis(pyridin-2-yl)methanamine]iron(II) 1,1,3,3-tetracyano-2-(dicyanomethylidene)propane-1,3-diide, [Fe(dipa)~2~](tcpd)
Authors of publication	Setifi, Zouaoui; Corfield, Peter W. R.; Setifi, Fatima; Morgenstern, Bernd; Hegetschweiler, Kaspar; Kaddouri, Yassine
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	9
Pages of publication	1227 - 1230
a	17.5394 ± 0.0007 Å
b	13.5094 ± 0.0007 Å
c	13.7913 ± 0.0006 Å
α	90°
β	117.006 ± 0.003°
γ	90°
Cell volume	2911.5 ± 0.2 Å³
Cell temperature	162 ± 2 K
Ambient diffraction temperature	162 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
209715 (current)	2018-08-15	cif/ hkl/ Adding structures of 2242590 via cif-deposit CGI script.	2242590.cif 2242590.hkl