Crystallography Open Database

Information card for entry 7707934

Preview

Coordinates	7707934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H51 F3 O3 P Rh S Si2
Calculated formula	C39 H51 F3 O3 P Rh S Si2
SMILES	[Rh]12([P](c3c(C[Si]1(C(C)C)C(C)C)cccc3)(c1ccccc1)c1ccccc1C[Si]2(C(C)C)C(C)C)OS(=O)(=O)C(F)(F)F.c1ccccc1
Title of publication	14-Electron Rh and Ir silylphosphine complexes and their catalytic activity in alkene functionalization with hydrosilanes.
Authors of publication	Abeynayake, Niroshani S.; Zamora-Moreno, Julio; Gorla, Saidulu; Donnadieu, Bruno; Muñoz-Hernández, Miguel A; Montiel-Palma, Virginia
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	34
Pages of publication	11783 - 11792
a	11.7311 ± 0.0008 Å
b	21.7488 ± 0.0015 Å
c	15.5316 ± 0.0011 Å
α	90°
β	93.067 ± 0.002°
γ	90°
Cell volume	3957 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268812 (current)	2021-09-06	cif/ Updating files of 7707933, 7707934, 7707935, 7707936 Original log message: Adding full bibliography for 7707933--7707936.cif.	7707934.cif
267845	2021-07-31	cif/ Adding structures of 7707933, 7707934, 7707935, 7707936 via cif-deposit CGI script.	7707934.cif