Crystallography Open Database

Information card for entry 7104128

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Coordinates	7104128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H75 B F24 P3 Rh
Calculated formula	C59 H75 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	19.1792 ± 0.0002 Å
b	27.4349 ± 0.0003 Å
c	26.646 ± 0.0003 Å
α	90°
β	105.504 ± 0.0005°
γ	90°
Cell volume	13510.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1064
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.174
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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