Crystallography Open Database

Information card for entry 7245948

Preview

Coordinates	7245948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H37 Cl4 F15 N4 P Rh Sb2
Calculated formula	C39 H37 Cl4 F15 N4 P Rh Sb2
SMILES	[Rh]123([P](c4ccccc4)(c4ccccc4)c4ccccc4C[N]1(Cc1[n]2cccc1)Cc1c3ccc(c1)C(F)(F)F)([N]#CC)[N]#CC.[Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
Title of publication	Synthesis of chiral-at-metal rhodium complexes from achiral tripodal tetradentate ligands: resolution and application to enantioselective Diels–Alder and 1,3-dipolar cycloadditions
Authors of publication	Tejero, Alvaro G.; Carmona, María; Rodríguez, Ricardo; Viguri, Fernando; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	53
Pages of publication	34704 - 34714
a	12.2805 ± 0.0009 Å
b	13.6365 ± 0.0009 Å
c	14.6021 ± 0.001 Å
α	96.069 ± 0.001°
β	102.032 ± 0.002°
γ	92.269 ± 0.002°
Cell volume	2373.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.08
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
279682 (current)	2022-12-03	cif/ Adding structures of 7245948 via cif-deposit CGI script.	7245948.cif