Crystal structure of chlorido-(η ⁵-pentamethylcyclopentadienyl)-(4-chloro-4-pyridyl-2,2′:6′,2′′-terpyridine-κ²N,N′) rhodium(III) hexaflourophosphate, C₃₁H₂₉Cl₂F₆N₃PRh

Abstract

C31H29Cl2F6N3PRh, monoclinic, P21/c (no. 14), a = 7.4069(7) Å, b = 13.245(1) Å, c = 32.141(3) Å, β = 93.924(2)°, V = 3145.8(5) Å3, Z = 4, Rgt(F) = 0.0386, wRref(F2) = 0.0962, T = 123.15 K.

Cytotoxic Activities of Half‐sandwich M(III) Complexes (M=Rh, Ir) Bearing Chloro‐substituted Bidentate‐coordinated Phenanthroline or Terpyridine Ligands

“…An ORTEP view of the molecular cation of 4 is depicted in Figure 3, selected bond lengths are given in the caption. The molecular structure of compound 4 exhibits a pseudo‐octahedral piano‐stool geometry around the iridium center and is best comparable with that of the closely related one of compound 3 as described in the literature [13] . Thus, for the latter hexafluoridophosphate salt the following bond distances were reported: Rh−N1, 2.1082(2) and Rh−N2, 2.192(2) and Rh−Cl, 2.4028(5) Å.…”

“…The molecular structure of compound 4 exhibits a pseudo-octahedral piano-stool geometry around the iridium center and is best comparable with that of the closely related one of compound 3 as described in the literature. [13] Thus, for the latter hexafluoridophosphate salt the following bond distances were reported: RhÀ N1, 2.1082(2) and RhÀ N2, 2.192(2) and RhÀ Cl, 2.4028(5) Å. Very similar data were found during our X-ray crystal study of compound 3 (see SI of this paper).…”

“…Furthermore, during our investigations we obtained singlecrystals of compound 3 and confirmed its molecular structure in the solid. However, the crystal structure of this compound has already published in the literature, [13] exhibiting the same space group, cell parameters and bonding characteristics as found during our X-ray study on compound 3. Thus, we have deposited our results on these data for more support of the assumed structure of compound 3 only with the Supporting Information of this paper.…”

“…During this procedure, all compounds were obtained in yields from 49 to 66 % and characterized by elemental analysis, 1 H and 13 C{ 1 H} NMR spectroscopy, mass spectrometry and additionally, the molecular structures of all compounds in the solid state were determined by single-crystal X-ray diffraction studies. The 1 H and 13 C{ 1 H} NMR spectra of the new compounds supported the assumed molecular constitution (see Experimental Section). Exemplarily, the data will be illustrated on one selected compound in the following.…”