organic compounds
Open access
The title compound, C76H80O16, is a macrocyclic structure. This novel resorcin[4]arene derivative has (methoxycarbonyl)methoxy `head' groups on the upper rim. The compound has a C2v `boat' geometry and there are a range of C—HO contacts in the crystal structure.
metal-organic compounds
Open access
In the title compound, [Fe(C10H15)(C6H12N4)(CO)2]BF4, the arrangement around the FeII atom corresponds to a three-legged piano stool. The pentamethylcyclopentadienyl (Cp*) ligand occupies three coordination sites, while two CO ligands and one N atom of the hexamethylenetetramine ligand occupy the remaining coordination sites, completing a pseudo-octahedral geometry. Both the complex cation and the BF4− anion reside on crystallographic mirror planes. The Fe—N bond length is 2.069 (2) and the Fe—Cp*(centroid) distance is 1.7452 (3) Å.
metal-organic compounds
Open access
The title compound, [Fe(η5-C5H5)(NH2CH2CHBrCH2Br)(CO)2](BF4) contains an FeII cation with a three-legged piano-stool coordination. The NH2CH2CHBrCH2Br ligand contains a chiral carbon atom. The Fe—N bond length is 2.011 (3) Å and the Fe—Cp centroid distance is 1.7189 (5) Å. In the crystal, the ions are linked via two N—HF interactions and a weak N—HBr interaction.
organic compounds
Open access
The title compound, C38H30OP2S·CH2Cl2, belongs to the xanthene family of ligands containing S- and O-donor atoms in the central heterocylic ring. Positions 2 and 8 on the xanthene backbone are functionalized with methyl groups to allow for the selective functionalization of the backbone at positions 4 and 6 with diphenylphosphanyl units. The title compound shows a significant `roof-like' bending along the axis of planarity involving the O- and S-donor atoms and the benzene rings, resulting in a dihedral angle between the mean planes of the benzene rings of 32.88 (13)°.
metal-organic compounds
Open access
In the structure of the title compound, [Fe(C5H5)(C6H12N4)(CO)2]BF4, the arrangement around the FeII atom corresponds to that of a three-legged piano stool. The cyclopentadienyl ligand occupies three coordination sites of the apical position in a η5 fashion, while two CO ligands and one N atom of the hexamethylenetetramine ligand occupy the remaining coordination sites to complete a distorted octahedral geometry. The asymmetric unit consists of two sets of crystallographically independent cations and anions with the r.m.s. deviations of the overlay of non-H atoms of each pair being 0.081 and 0.120 Å, respectively. The Fe—N bond lengths are 2.0459 (15) and 2.0490 (14) Å, while the Fe—Cp(centroid) distances are 1.7257 (3) and 1.7246 (3) Å. One of the anions displays disorder, with the F atoms having occupancies of 0.58 (4) and 0.42 (4).