Crystallography Open Database

Information card for entry 2243219

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Structure parameters

Chemical name	Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')iron(II)
Formula	C16 H30 Fe N2 O4
Calculated formula	C16 H30 Fe N2 O4
SMILES	CC1=CC(C)=[O][Fe]23([N](CC[N]2(C)C)(C)C)(O1)OC(=CC(C)=[O]3)C
Title of publication	Syntheses and crystal structures of three [<i>M</i>(acac)~2~(TMEDA)] complexes (<i>M</i> = Mn, Fe and Zn)
Authors of publication	Halz, Jan Henrik; Heiser, Christian; Wagner, Christoph; Merzweiler, Kurt
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	1
Pages of publication	66 - 71
a	10.2021 ± 0.0003 Å
b	15.4708 ± 0.0004 Å
c	12.4881 ± 0.0004 Å
α	90°
β	95.382 ± 0.003°
γ	90°
Cell volume	1962.37 ± 0.1 Å³
Cell temperature	213 K
Ambient diffraction temperature	213 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0862
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
245310 (current)	2019-12-18	cif/ hkl/ Adding structures of 2243218, 2243219, 2243220 via cif-deposit CGI script.	2243219.cif 2243219.hkl