Crystallography Open Database

Information card for entry 4128529

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Coordinates	4128529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 F3 Ir N
Calculated formula	C30 H27 F3 Ir N
Title of publication	Oxidatively Induced Reductive Elimination: Exploring the Scope and Catalyst Systems with Ir, Rh, and Ru Complexes.
Authors of publication	Kim, Jinwoo; Shin, Kwangmin; Jin, Seongho; Kim, Dongwook; Chang, Sukbok
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	9
Pages of publication	4137 - 4146
a	10.0758 ± 0.0004 Å
b	15.6498 ± 0.0006 Å
c	16.5383 ± 0.0006 Å
α	75.2367 ± 0.0014°
β	87.6486 ± 0.0014°
γ	87.6424 ± 0.0015°
Cell volume	2518.34 ± 0.17 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0486
Weighted residual factors for all reflections included in the refinement	0.0516
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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