Crystallography Open Database

Information card for entry 7703839

Preview

Coordinates	7703839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H38 B F24 N2 Rh S2 Si
Calculated formula	C52 H38 B F24 N2 Rh S2 Si
Title of publication	Si-C(sp<sup>3</sup>) bond activation through oxidative addition at a Rh(i) centre.
Authors of publication	Azpeitia, S.; Martínez-Martínez, A J; Garralda, M. A.; Weller, A. S.; Huertos, M. A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	17
Pages of publication	5416 - 5419
a	13.0258 ± 0.0004 Å
b	14.6748 ± 0.0005 Å
c	16.5971 ± 0.0006 Å
α	64.937 ± 0.003°
β	82.448 ± 0.003°
γ	74.53 ± 0.003°
Cell volume	2769.1 ± 0.18 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1486
Weighted residual factors for all reflections included in the refinement	0.1536
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
252754 (current)	2020-06-05	cif/ Updating files of 7703836, 7703837, 7703838, 7703839 Original log message: Adding full bibliography for 7703836--7703839.cif.	7703839.cif
249647	2020-03-24	cif/ Adding structures of 7703836, 7703837, 7703838, 7703839 via cif-deposit CGI script.	7703839.cif