Crystallography Open Database

Information card for entry 1551066

Preview

Coordinates	1551066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H51 Fe N2
Calculated formula	C39 H51 Fe N2
SMILES	[Fe]123456([N](=Cc7n1c(c1c(cc(cc1C(C)C)C(C)C)C(C)C)cc7)c1c(cccc1C(C)C)C(C)C)[cH]1[cH]3[cH]6[cH]4[c]5([cH]21)C
Title of publication	Hydroboration of terminal olefins with pinacolborane catalyzed by new 2-iminopyrrolyl iron(II) complexes
Authors of publication	Gomes, Pedro T.; Cruz, Tiago Carpinteiro; Pereira, Laura C. J.; Waerenborgh, João Carlos; Veiros, Luis F.
Journal of publication	Catalysis Science & Technology
Year of publication	2019
a	9.606 ± 0.006 Å
b	10.504 ± 0.006 Å
c	17.317 ± 0.01 Å
α	103.9 ± 0.02°
β	93.89 ± 0.03°
γ	91.43 ± 0.03°
Cell volume	1690.7 ± 1.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1857
Residual factor for significantly intense reflections	0.1314
Weighted residual factors for significantly intense reflections	0.3289
Weighted residual factors for all reflections included in the refinement	0.3628
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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