Crystallography Open Database

Information card for entry 4082354

Preview

Coordinates	4082354.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 Cl3 Fe N2
Calculated formula	C21 H24 Cl3 Fe N2
SMILES	[Fe](Cl)(Cl)(Cl)=C1N(C=CN1Cc1cc(cc(c1)C)C)Cc1cc(cc(c1)C)C
Title of publication	Dinuclear Iron(0) Complexes of N-Heterocyclic Carbenes
Authors of publication	Hashimoto, Takayoshi; Hoshino, Ryoko; Hatanaka, Tsubasa; Ohki, Yasuhiro; Tatsumi, Kazuyuki
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	4
Pages of publication	921
a	8.474 ± 0.002 Å
b	9.88 ± 0.003 Å
c	14.618 ± 0.003 Å
α	74.08 ± 0.013°
β	73.538 ± 0.014°
γ	75.082 ± 0.012°
Cell volume	1107 ± 0.5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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 significantly intense reflections	0.0407
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178712 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/23.	4082354.cif
104381	2014-03-11	cif/ Adding structures of 4082352, 4082353, 4082354, 4082355, 4082356, 4082357, 4082358, 4082359, 4082360 via cif-deposit CGI script.	4082354.cif