Crystallography Open Database

Information card for entry 2242697

Preview

Structure parameters

Chemical name	Dichloridobis(3-cyclopropyl-<i>N</i>,<i>N</i>'-diisopropylprop-2-ynamidine)iron(II)
Formula	C24 H40 Cl2 Fe N4
Calculated formula	C24 H40 Cl2 Fe N4
SMILES	[Fe](Cl)(Cl)([N](=C(NC(C)C)C#CC1CC1)C(C)C)[N](=C(NC(C)C)C#CC1CC1)C(C)C
Title of publication	Synthesis and structural characterization of four dichloridobis(cyclopropylalkynylamidine)metal complexes
Authors of publication	Wang, Sida; Liebing, Phil; Engelhardt, Felix; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	11
Pages of publication	1658 - 1664
a	17.5703 ± 0.0009 Å
b	30.9167 ± 0.0012 Å
c	10.111 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5492.5 ± 0.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
211684 (current)	2018-10-27	cif/ hkl/ Adding structures of 2242696, 2242697, 2242698, 2242699 via cif-deposit CGI script.	2242697.cif 2242697.hkl