Crystallography Open Database

Information card for entry 4064359

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Coordinates	4064359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H54 Fe N4 Si2
Calculated formula	C26 H54 Fe N4 Si2
Title of publication	Synthesis, Structure, and Reactivity of Organo-Iron(II) Complexes with N-Heterocyclic Carbene Ligation
Authors of publication	Xiang, Li; Xiao, Jie; Deng, Liang
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	7
Pages of publication	2018
a	10.2136 ± 0.0013 Å
b	13.2695 ± 0.0017 Å
c	12.6828 ± 0.0015 Å
α	90°
β	101.87 ± 0.002°
γ	90°
Cell volume	1682.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	0.876
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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