Crystallography Open Database

Information card for entry 4082352

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Coordinates	4082352.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=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)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	16.3581 ± 0.0016 Å
b	16.6364 ± 0.0018 Å
c	17.0039 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	4627.4 ± 0.9 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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