Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Crystal structure of tetra-kis-(tetra-hydro-furan-?O)bis-(tri-fluoro-methane-sulfonato-?O)iron(II).

ABSTRACT: The title compound, [Fe(CF3SO3)2(C4H8O)4], is octa-hedral with two tri-fluoro-methane-sulfonate ligands in trans positions and four tetra-hydro-furane mol-ecules in the equatorial plane. By the conformation of the ligands the complex is chiral in the crystal packing. The compound crystallizes in the Sohncke space group P212121 and is enanti-omerically pure. The packing of the mol-ecules is determined by weak C-H?O hydrogen bonds. The crystal studied was refined as a two-component inversion twin.

SUBMITTER: Riemersma CF

PROVIDER: S-EPMC6775732 | biostudies-literature | 2019 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Crystal structure of tetra-kis-(tetra-hydro-furan-κO)bis-(tri-fluoro-methane-sulfonato-κO)iron(II).

Riemersma Charl F CF Monkcom Emily C EC Klein Gebbink Robertus J M RJM Lutz Martin M

Acta crystallographica. Section E, Crystallographic communications 20190927 Pt 10

The title compound, [Fe(CF3SO3)2(C4H8O)4], is octa-hedral with two tri-fluoro-methane-sulfonate ligands in trans positions and four tetra-hydro-furane mol-ecules in the equatorial plane. By the conformation of the ligands the complex is chiral in the crystal packing. The compound crystallizes in the Sohncke space group P212121 and is enanti-omerically pure. The packing of the mol-ecul ...[more]

PMID: 31636992

Similar Datasets

Crystal structure of bis-(acetyl-acetonato-κ(2) O,O')(tetra-hydro-furan-κO)(tri-fluoro-methane-sulfonato-κO)iron(III).

Project description:The mononuclear title complex, [Fe(CF3O3S)(C5H7O2)2(C4H8O)] or [Fe(acac)2(OTf)(THF)] (acac = acetyl-acetonate; OTf = tri-fluoro-methane-sulfon-ate; THF = tetrahydrofuran), (I), consists of one six-coordinate Fe(3+) atom in a slightly distorted octa-hedral environment [Fe-O bond-length range = 1.9517 (11)-2.0781 (11) Å]. The triflate ligand was found to be disordered over two sets of sites, with a site-occupancy ratio of 0.622 (16):0.378 (16). Weak inter-molecular C-H⋯O and C-H⋯F hydrogen-bonding inter-actions generate a two-dimensional supra-molecular structure lying parallel to (100). This is only the second crystal structure reported of a mononuclear bis-(acetyl-acetonato)iron(III) complex.

| S-EPMC4647377 | biostudies-literature

Tetra-kis(μ-penta-fluoro-benzoato-κO:O')bis-[(tetra-hydro-furan-κO)molybdenum(II)].

Project description:In the asymmetric unit of the title compound, [Mo(2)(C(7)F(5)O(2))(4)(C(4)H(8)O)(2)], two independent half-mol-ecules are present, which are completed by a crystallographically imposed center of inversion between the individual Mo atoms. In each mol-ecule, four penta-fluoro-benzoate anions bridge the quadruply bonded Mo(2) (4+) unit that is, in addition, axially coordinated by two O atoms of tetra-hydro-furan (THF) mol-ecules. In the two independent mol-ecules, the mean Mo-Mo bond length is 2.110 Å. Since the THF mol-ecules are equally disordered over two sets of sites, there are four different Mo-O distances in both half-mol-ecules with an overall mean of 2.542 Å. A zigzag chain is formed by π-π stacking inter-actions between penta-fluoro-phenyl rings, indicated by a centroid-centroid distance of 3.7054 (11) Å and a centroid-to-plane distance of 3.4169 (3) Å. The extension of the unit gives a three-dimensional network structure with the THF mol-ecules located in the voids.

| S-EPMC3200930 | biostudies-literature

Crystal structure of di-μ-tri-hydro-(penta-fluoro-phenyl)-borato-tetra-kis-(tetra-hydro-furan)-disodium.

Project description:The title compound, [Na(μ-C6F5BH3)(C4H8O)2]2, represents a dimeric structure of sodium and organoborohydride, located about a centre of inversion. The Na⋯B distances of 2.7845 (19) and 2.7494 (18) Å were apparently longer than the Li⋯B distances (2.403-2.537 Å) of the lithium organotri-hydro-borates in the previous reports. Moreover, an inter-action between the sodium atom and one fluorine atom on the 2-position of the benzene ring is observed [Na-F = 2.6373 (12) Å]. In the crystal, the dimeric mol-ecules are stacked along the b-axis via a π-π inter-action between the benzene rings.

| S-EPMC7001818 | biostudies-literature

Bis(nona-fluoro-butane-sulfonato-?O)dioxidotris(tetra-hydro-furan-?O)uranium(VI).

Project description:In the title compound, [U(C(4)F(9)O(3)S)O(2)(C(4)H(8)O)(3)], each U(VI) ion is located on a twofold rotation axis and is seven-coordinated by two terminal O atoms in the axial positions [U-O = 1.737?(5)?Å] and five O atoms from two monodentate nona-fluoro-butane-sulfonate (NfO(-)) and three tetra-hydro-furan ligands in the equatorial plane [U-O = 2.388?(5)-2.411?(4)?Å] in a penta-gonal-bipyramidal geometry. The crystal packing exhibits weak inter-molecular C-H?O hydrogen bonds involving the non-coordinated O atoms of the NfO(-) ligands.

| S-EPMC2915104 | biostudies-literature

Crystal structure of tri-benzyl-bis-(tetra-hydro-furan-κO)lutetium(III).

Project description:In the title compound, [Lu(C7H7)3(C4H8O)2] (1), the Lu ion is coordinated by three benzyl and two tetra-hydro-furan ligands. Two of the benzyl groups are bonded in a classical η1-fashion through the methyl-ene via the ipso-carbon atom of the benzyl ligand in addition to bonding through the methyl-ene C atom, resulting in a modified trigonal-bipyramidal coordination geometry about the Lu center.

| S-EPMC5956313 | biostudies-literature

1,1',1'',1'''-(Oxydi-methane-tri-yl)tetra-kis-(4-fluoro-benzene).

Project description:In the title compound, C26H18F4O2, the dihedral angles between pairs of benzene rings linked to the same C atom are 80.55 (8) and 79.11 (7)°. The crystal packing features C-H⋯π inter-actions and shows stacking when viewed along the c axis.

| S-EPMC3998573 | biostudies-literature

[5,10,15,20-Tetra-kis(4-meth-oxy-phen-yl)porphyrinato-κN,N',N'',N'''](trifluoro-methane-sulfonato-κO)-iron(III).

Project description:The title compound, [Fe(CF(3)O(3)S)(C(48)H(36)N(4)O(4))], is a five-coordinate iron(III) porphyrin complex with a trifluoro-methane-sulfonate anion as an axial ligand. The Fe(III) atom is displaced by 0.40 (1) Å towards the trifluoro-methane-sulfonate anion from the 24-atom mean plane of the porphyrin. The average Fe-N(p) distance is 2.044 (2) Å and the Fe-O distance is 2.001 (2) Å.

| S-EPMC3051595 | biostudies-literature

[4-tert-Butyl-2,6-bis-(di-phenyl-meth-yl)phenolato-κO]dieth-yl(tetra-hydro-furan-κO)aluminium.

Project description:The title compound, {Al[O-2,6-(Ph2CH)2-4- t BuC6H2]Et2(THF)} or [Al(C2H5)2(C36H33O)(C4H8O)], was formed in the reaction between 4-tert-butyl-2,6-bis-(di-phenyl-meth-yl)phenol and tri-ethyl-aluminum in the presence of THF (THF is tetra-hydro-furan) and recrystallized from hexane. The structure has monoclinic (P21/n) symmetry with a single Al atom in the asymmetric unit. The terminal C atom of one ethyl substituent is nearly equally disordered over two positions. The complex possesses catalytic activity in the ring-opening polymerization of ∊-caprolactone.

| S-EPMC5956341 | biostudies-literature

Diaqua-bis-(1,10-phenanthroline)nickel(II) tetra-kis-(cyanido-?C)nickelate(II) tetra-hydro-furan solvate monohydrate.

Project description:The title complex, [Ni(C(12)H(8)N(2))(2)(H(2)O)(2)][Ni(CN)(4)]·C(4)H(8)O·H(2)O, consists of a cationic [Ni(C(12)H(8)N(2))(2)(H(2)O)(2)](2+) unit, an anionic [Ni(CN)(4)](2-) unit, one uncoordinated water and one tetra-hydro-furan mol-ecule. In the cationic unit, the Ni(2+) atom is coordinated by four N atoms and two O atoms from two 1,10-phenanthroline ligands and two water mol-ecules in a distorted octa-hedral coordination environment. In the anionic unit, the Ni(2+) atom is in a square-planar coordination by four C atoms from four monodentate terminal cyanide ligands. O-H?N and O-H?O hydrogen bonds link neighboring cationic and anionic units, forming a three-dimensional supra-molecular network. The inter-stitial tetra-hydro-furan mol-ecule is independently disordered over two sites in a 1:1 ratio.

| S-EPMC2983352 | biostudies-literature

catena-Poly[[tetra-kis(μ(2)-acetato-κO:O')dicopper(II)(Cu-Cu)]-μ(2)-acetato-κO:O'-[bis-[μ(2)-3-(dimethyl-amino)propan-1-olato]-κN,O:O;κO:N,O-bis-[(tetra-hydro-furan-κO)copper(II)]]-μ(2)-acetato-κO:O'].

Project description:The title complex, [Cu(4)(C(5)H(12)NO)(2)(C(2)H(3)O(2))(6)(C(4)H(8)O)(2)](n), consists of dinuclear [Cu(2)(C(5)H(12)NO)(2)(THF)(2)] (THF is tetra-hydro-furan) and [Cu(2)(CH(3)COO)(4)] units linked through acetate ions, generating parallel one-dimensional polymeric chains propagating in the [10] direction. In the first dinuclear unit, Cu(II) ions related by inversion symmetry are bridged by two 3-(dimethyl-amino)propan-1-olate ligands. Likewise, a pair of inversion-related Cu(II) ions are bridged by four acetate groups. The crystallographically independent Cu centers are linked to one another by a single bridging acetate group, generating an infinite chain. The distorted square-pyramidal coordination of the first metal center is completed with an apical THF mol-ecule, with a long Cu-O bond length of 2.476 (5) Å. The geometry around the other metal atom is close to octa-hedral, and the Cu⋯Cu separation in this unit is 2.652 (1) Å. The distance between the metal centers in the first dinuclear unit is considerably longer [3.068 (1) Å], suggesting little or no bonding inter-action. The Cu⋯Cu separation between two acetate-bridged independent Cu centers is 4.860 (2) Å. The THF mol-ecule has methyl-ene groups disordered over two positions, with occupancies of 0.608 (13) and 0.392 (13).

| S-EPMC2960524 | biostudies-literature