Crystallography Open Database

Information card for entry 4121249

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Coordinates	4121249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H58 Fe N4 P2
Calculated formula	C37 H58 Fe N4 P2
Title of publication	Bis-N-Heterocyclic Carbene (NHC) Stabilized η6-Arene Iron(0) Complexes: Synthesis, Structure, Reactivity, and Catalytic Activity
Authors of publication	Burgert Blom; Gengwen Tan; Stephan Enthaler; Shigeyoshi Inoue; Jan Dirk Epping; Matthias Driess
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	18108 - 18120
a	12.01 ± 0.0002 Å
b	17.0683 ± 0.0003 Å
c	18.6762 ± 0.0004 Å
α	90°
β	104.484 ± 0.0019°
γ	90°
Cell volume	3706.76 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0768
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1643
Weighted residual factors for all reflections included in the refinement	0.1728
Goodness-of-fit parameter for all reflections included in the refinement	1.597
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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