Crystallography Open Database

Information card for entry 7104127

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Coordinates	7104127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H73 B F24 P3 Rh
Calculated formula	C59 H73 B F24 P3 Rh
Title of publication	Alkyl dehydrogenation in a Rh(I) complex via an isolated agostic intermediate.
Authors of publication	Chaplin, Adrian B; Poblador-Bahamonde, Amalia I; Sparkes, Hazel A; Howard, Judith A K; Macgregor, Stuart A; Weller, Andrew S
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2008
Journal volume	34
Journal issue	2
Pages of publication	244 - 246
a	19.3219 ± 0.0002 Å
b	17.7292 ± 0.0002 Å
c	29.0445 ± 0.0003 Å
α	90°
β	96.6182 ± 0.0004°
γ	90°
Cell volume	9883.24 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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