Crystallography Open Database

Information card for entry 4112322

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Coordinates	4112322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H45 F P3 Rh
Calculated formula	C54 H45 F P3 Rh
SMILES	[Rh]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)F
Title of publication	The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl Activation
Authors of publication	Vladimir V. Grushin; William J. Marshall
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	3068 - 3069
a	12.271 ± 0.004 Å
b	22.171 ± 0.006 Å
c	16.232 ± 0.005 Å
α	90°
β	108.449 ± 0.005°
γ	90°
Cell volume	4189 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1618
Residual factor for significantly intense reflections	0.0821
Weighted residual factors for significantly intense reflections	0.1905
Weighted residual factors for all reflections included in the refinement	0.2162
Goodness-of-fit parameter for all reflections included in the refinement	0.829
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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