Crystallography Open Database

Information card for entry 4083272

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Coordinates	4083272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H53 B Cl N4 Rh
Calculated formula	C50 H53 B Cl N4 Rh
Title of publication	Iridium(III) Cp* Complexes for the Efficient Hydroamination of Internal Alkynes
Authors of publication	Gray, Katherine; Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	17
Pages of publication	6270
a	19.6719 ± 0.0013 Å
b	25.202 ± 0.0015 Å
c	17.6312 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	8741 ± 0.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0878
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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