Crystallography Open Database

Information card for entry 7110041

Preview

Coordinates	7110041.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H49 B F24 P Rh
Calculated formula	C60 H49 B F24 P Rh
SMILES	[Rh]123456([P](C)(C)C)([C](=C(C)c7ccccc17)(c1ccccc1)[H]6)[c]1([c]5([c]4([c]3([c]21C)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	12.5908 ± 0.0018 Å
b	15.472 ± 0.003 Å
c	17.459 ± 0.003 Å
α	65.085 ± 0.005°
β	70.167 ± 0.006°
γ	81.773 ± 0.007°
Cell volume	2901.6 ± 0.9 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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