Crystallography Open Database

Information card for entry 4104109

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Coordinates	4104109.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H33 F O P2 Rh
Calculated formula	C40 H33 F O P2 Rh
Title of publication	Fluxionality of [(Ph3P)3Rh(X)]: The Extreme Case of X = CF3
Authors of publication	Jenni Goodman; Vladimir V. Grushin; Roman B. Larichev; Stuart A. Macgregor; William J. Marshall; D. Christopher Roe
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	4236 - 4238
a	11.4848 ± 0.0014 Å
b	18.012 ± 0.002 Å
c	17.4575 ± 0.0017 Å
α	90°
β	114.692 ± 0.006°
γ	90°
Cell volume	3281.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.044
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0806
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	No
Has F_obs	No

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