(Carbonyl-1κC)bis[2,3(η5)-cyclopentadienyl][μ3-(S-methyl trithiocarbonato)methylidyne-1:2:3κ4C,S′′:C:C](triphenylphosphine-1κP)(μ3-sulfido-1:2:3κ3S)dicobalt(II)iron(II) trifluoromethanesulfonate
The asymmetric unit of the title compound, [FeCo2(C5H5)2(C3H3S3)S(C18H15P)(CO)]CF3SO3, consists of a triangular irondicobalt cluster cation and a trifluoromethanesulfonate anion. In the cation, the FeCo2 triangle is symmetrically capped on one face by an S atom and on the other by a C atom linked to...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2008-05-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536808008970 |
| _version_ | 1819289129223979008 |
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| author | Jim Simpson Anthony J. Palmer C. John McAdam Anthony R. Manning |
| author_facet | Jim Simpson Anthony J. Palmer C. John McAdam Anthony R. Manning |
| author_sort | Jim Simpson |
| collection | DOAJ |
| description | The asymmetric unit of the title compound, [FeCo2(C5H5)2(C3H3S3)S(C18H15P)(CO)]CF3SO3, consists of a triangular irondicobalt cluster cation and a trifluoromethanesulfonate anion. In the cation, the FeCo2 triangle is symmetrically capped on one face by an S atom and on the other by a C atom linked to a methyl trithiocarbonate residue that bridges the Fe—C bond. Each Co atom carries a cyclopentadienyl ligand while the Fe atom coordinates to one carbonyl and one triphenylphosphine ligand. In the crystal structure, the cation is linked to the anion by a number of weak non-classical C—H...O and C—H...F hydrogen bonds and weak S...O (3.317 Å) and S...F (3.198 Å) interactions. The structure is further stabilized by additional intermolecular C—H...O, C—H...F and O...O (2.942 Å) contacts, together with an unusual S...π(Cp) interaction (S...centroid distance = 3.385 Å), generating an extended network. |
| first_indexed | 2024-12-24T03:01:56Z |
| format | Article |
| id | doaj.art-6d4e3a3dc6bc42db922a239a771cf110 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T03:01:56Z |
| publishDate | 2008-05-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-6d4e3a3dc6bc42db922a239a771cf1102022-12-21T17:18:09ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682008-05-01645m635m63610.1107/S1600536808008970(Carbonyl-1κC)bis[2,3(η5)-cyclopentadienyl][μ3-(S-methyl trithiocarbonato)methylidyne-1:2:3κ4C,S′′:C:C](triphenylphosphine-1κP)(μ3-sulfido-1:2:3κ3S)dicobalt(II)iron(II) trifluoromethanesulfonateJim SimpsonAnthony J. PalmerC. John McAdamAnthony R. ManningThe asymmetric unit of the title compound, [FeCo2(C5H5)2(C3H3S3)S(C18H15P)(CO)]CF3SO3, consists of a triangular irondicobalt cluster cation and a trifluoromethanesulfonate anion. In the cation, the FeCo2 triangle is symmetrically capped on one face by an S atom and on the other by a C atom linked to a methyl trithiocarbonate residue that bridges the Fe—C bond. Each Co atom carries a cyclopentadienyl ligand while the Fe atom coordinates to one carbonyl and one triphenylphosphine ligand. In the crystal structure, the cation is linked to the anion by a number of weak non-classical C—H...O and C—H...F hydrogen bonds and weak S...O (3.317 Å) and S...F (3.198 Å) interactions. The structure is further stabilized by additional intermolecular C—H...O, C—H...F and O...O (2.942 Å) contacts, together with an unusual S...π(Cp) interaction (S...centroid distance = 3.385 Å), generating an extended network.http://scripts.iucr.org/cgi-bin/paper?S1600536808008970 |
| spellingShingle | Jim Simpson Anthony J. Palmer C. John McAdam Anthony R. Manning (Carbonyl-1κC)bis[2,3(η5)-cyclopentadienyl][μ3-(S-methyl trithiocarbonato)methylidyne-1:2:3κ4C,S′′:C:C](triphenylphosphine-1κP)(μ3-sulfido-1:2:3κ3S)dicobalt(II)iron(II) trifluoromethanesulfonate Acta Crystallographica Section E |
| title | (Carbonyl-1κC)bis[2,3(η5)-cyclopentadienyl][μ3-(S-methyl trithiocarbonato)methylidyne-1:2:3κ4C,S′′:C:C](triphenylphosphine-1κP)(μ3-sulfido-1:2:3κ3S)dicobalt(II)iron(II) trifluoromethanesulfonate |
| title_full | (Carbonyl-1κC)bis[2,3(η5)-cyclopentadienyl][μ3-(S-methyl trithiocarbonato)methylidyne-1:2:3κ4C,S′′:C:C](triphenylphosphine-1κP)(μ3-sulfido-1:2:3κ3S)dicobalt(II)iron(II) trifluoromethanesulfonate |
| title_fullStr | (Carbonyl-1κC)bis[2,3(η5)-cyclopentadienyl][μ3-(S-methyl trithiocarbonato)methylidyne-1:2:3κ4C,S′′:C:C](triphenylphosphine-1κP)(μ3-sulfido-1:2:3κ3S)dicobalt(II)iron(II) trifluoromethanesulfonate |
| title_full_unstemmed | (Carbonyl-1κC)bis[2,3(η5)-cyclopentadienyl][μ3-(S-methyl trithiocarbonato)methylidyne-1:2:3κ4C,S′′:C:C](triphenylphosphine-1κP)(μ3-sulfido-1:2:3κ3S)dicobalt(II)iron(II) trifluoromethanesulfonate |
| title_short | (Carbonyl-1κC)bis[2,3(η5)-cyclopentadienyl][μ3-(S-methyl trithiocarbonato)methylidyne-1:2:3κ4C,S′′:C:C](triphenylphosphine-1κP)(μ3-sulfido-1:2:3κ3S)dicobalt(II)iron(II) trifluoromethanesulfonate |
| title_sort | carbonyl 1 954 c bis 2 3 951 5 cyclopentadienyl 956 3 s methyl trithiocarbonato methylidyne 1 2 3 954 4c s 8242 8242 c c triphenylphosphine 1 954 p 956 3 sulfido 1 2 3 954 3s dicobalt ii iron ii trifluoromethanesulfonate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536808008970 |
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