Crystallography Open Database

Information card for entry 4082354

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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

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