Crystallography Open Database

Information card for entry 4117008

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Coordinates	4117008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H26 Cl F7 O P Rh
Calculated formula	C23 H26 Cl F7 O P Rh
Title of publication	Mechanism of Carbon-Fluorine Bond Activation by (C5Me5)Rh(PMe3)H2
Authors of publication	Brian L. Edelbach; William D. Jones
Journal of publication	Journal of the American Chemical Society
Year of publication	1997
Journal volume	119
Pages of publication	7734 - 7742
a	9.7329 ± 0.001 Å
b	8.3407 ± 0.0009 Å
c	31.741 ± 0.003 Å
α	90°
β	98.026 ± 0.007°
γ	90°
Cell volume	2551.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0813
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for all reflections	0.1964
Weighted residual factors for significantly intense reflections	0.1901
Goodness-of-fit parameter for all reflections	1.232
Goodness-of-fit parameter for significantly intense reflections	1.286
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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