Crystallography Open Database

Information card for entry 7104126

Preview

Coordinates	7104126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H74.6 B F24 P3 Rh
Calculated formula	C59 H74.6 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	13.1039 ± 0.0006 Å
b	28.6518 ± 0.0012 Å
c	17.9634 ± 0.0008 Å
α	90°
β	106.228 ± 0.001°
γ	90°
Cell volume	6475.6 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0567
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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