Crystallography Open Database

Information card for entry 4078527

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Coordinates	4078527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H54 Fe N4
Calculated formula	C44 H54 Fe N4
Title of publication	Synthesis of Bis(N-heterocyclic carbene) Complexes of Iron(II) and Their Application in Hydrosilylation and Transfer Hydrogenation
Authors of publication	Hashimoto, Takayoshi; Urban, Slawomir; Hoshino, Ryoko; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Glorius, Frank
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	12
Pages of publication	4474
a	20.835 ± 0.007 Å
b	20.799 ± 0.006 Å
c	18.861 ± 0.006 Å
α	90°
β	107.613 ± 0.004°
γ	90°
Cell volume	7790 ± 4 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for all reflections included in the refinement	0.1703
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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