Crystallography Open Database

Information card for entry 4088700

Preview

Coordinates	4088700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H47 F3 O3 P Rh S
Calculated formula	C37 H47 F3 O3 P Rh S
SMILES	[c]12([c]3([c]4([c]5([c]1(C)[Rh]162345([C](#[C]1[C]6=C(C)c1ccccc1)c1ccccc1)[P](CC=C)(C(C)C)C(C)C)C)C)C)C.C(F)(F)(F)S(=O)(=O)[O-]
Title of publication	Intramolecular C‒C Coupling Reactions of Alkynyl, Vinylidene, and Alkenylphosphane Ligands in Rhodium(III) Complexes
Authors of publication	Martínez de Salinas, Sara; Díez, Josefina; Falvello, Larry R.; González, Javier; Gamasa, M. Pilar; Lastra, Elena
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	17
Pages of publication	2793
a	9.0793 ± 0.0006 Å
b	11.851 ± 0.0005 Å
c	32.869 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3536.7 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237778 (current)	2019-11-24	cif/ Adding structures of 4088700, 4088701 via cif-deposit CGI script.	4088700.cif