Crystallography Open Database

Information card for entry 7110042

Preview

Coordinates	7110042.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H59 B F24 O P Rh
Calculated formula	C82 H59 B F24 O P Rh
SMILES	[Rh]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([O]=C(C1=C(c1ccccc1)c1ccccc1)c1ccc(cc1)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Title of publication	1,4-Metal migration in a Cp*Rh(III) complex
Authors of publication	Yousuke Ikeda; Koichi Takano; Shintaro Kodama; Youichi Ishii
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	11104
a	13.909 ± 0.003 Å
b	17.236 ± 0.004 Å
c	31.046 ± 0.007 Å
α	90°
β	91.043 ± 0.003°
γ	90°
Cell volume	7442 ± 3 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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 significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.2398
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7110042.html