Crystallography Open Database

Information card for entry 4120353

4120352 << 4120353 >> 4120354

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Coordinates	4120353.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H80 B Li N2 O3
Calculated formula	C60 H80 B Li N2 O3
Title of publication	Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media
Authors of publication	Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	12448 - 12459
a	10.2681 ± 0.0005 Å
b	12.6386 ± 0.0008 Å
c	21.6789 ± 0.001 Å
α	74.112 ± 0.005°
β	88.624 ± 0.004°
γ	81.879 ± 0.005°
Cell volume	2678.4 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1338
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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