Synthesis and crystal structure of decacarbonyl(μ3-3,7-dithianonane-1,9-dithiolato)bis(μ2-propane-1,3-dithiolato)nickel(II)tetrairon(II) dichloromethane disolvate
The title compound,, [Fe4Ni(C3H6S2)2(C7H14S4)(CO)10]·2CH2Cl2, is reported as a biomimic model for the active site of [FeFe]-hydrogenases. Bis(2-mercaptoethyl)-1,3-propanedithio ether nickel(II) was firstly introduced into [Fe2(C3H6S2)(CO)5] as an S-containing ligand. It coordinates with two [Fe2(C3H...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2018-03-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989018001731 |
| _version_ | 1798026978488483840 |
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| author | Gan Ren Ge Sang |
| author_facet | Gan Ren Ge Sang |
| author_sort | Gan Ren |
| collection | DOAJ |
| description | The title compound,, [Fe4Ni(C3H6S2)2(C7H14S4)(CO)10]·2CH2Cl2, is reported as a biomimic model for the active site of [FeFe]-hydrogenases. Bis(2-mercaptoethyl)-1,3-propanedithio ether nickel(II) was firstly introduced into [Fe2(C3H6S2)(CO)5] as an S-containing ligand. It coordinates with two [Fe2(C3H6S2)(CO)5] groups, and a five-metal core complex is formed. The Fe2S2 core is in a butterfly conformation. The Fe—Fe distances in the [Fe2(C3H6S2)(CO)5] groups are 2.5126 (6) and 2.5086 (7) Å. The distances between the adjacent Fe and Ni atoms are 3.5322 (1) and 3.5143 (1) Å. There are intramolecular C—H...O and C—H...S contacts present in the complex. In the crystal, the five metal cores are linked via C—H...O hydrogen bonds, forming columns lying parallel to (110). The dichloromethane solvent molecules are each partially disordered over two positions and only one is linked to the five-metal core complex by a C—H...O hydrogen bond. |
| first_indexed | 2024-04-11T18:44:12Z |
| format | Article |
| id | doaj.art-68513fe97c844c4ba3a32a1cfe21bd93 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-04-11T18:44:12Z |
| publishDate | 2018-03-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-68513fe97c844c4ba3a32a1cfe21bd932022-12-22T04:08:52ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902018-03-0174332833110.1107/S2056989018001731su5420Synthesis and crystal structure of decacarbonyl(μ3-3,7-dithianonane-1,9-dithiolato)bis(μ2-propane-1,3-dithiolato)nickel(II)tetrairon(II) dichloromethane disolvateGan Ren0Ge Sang1Science and Technology on Surface Physics and Chemistry Laboratory, Jiangyou 621908, People's Republic of ChinaInstitute of Materials, China Academy of Engineering Physics, Jiangyou 621908, People's Republic of ChinaThe title compound,, [Fe4Ni(C3H6S2)2(C7H14S4)(CO)10]·2CH2Cl2, is reported as a biomimic model for the active site of [FeFe]-hydrogenases. Bis(2-mercaptoethyl)-1,3-propanedithio ether nickel(II) was firstly introduced into [Fe2(C3H6S2)(CO)5] as an S-containing ligand. It coordinates with two [Fe2(C3H6S2)(CO)5] groups, and a five-metal core complex is formed. The Fe2S2 core is in a butterfly conformation. The Fe—Fe distances in the [Fe2(C3H6S2)(CO)5] groups are 2.5126 (6) and 2.5086 (7) Å. The distances between the adjacent Fe and Ni atoms are 3.5322 (1) and 3.5143 (1) Å. There are intramolecular C—H...O and C—H...S contacts present in the complex. In the crystal, the five metal cores are linked via C—H...O hydrogen bonds, forming columns lying parallel to (110). The dichloromethane solvent molecules are each partially disordered over two positions and only one is linked to the five-metal core complex by a C—H...O hydrogen bond.http://scripts.iucr.org/cgi-bin/paper?S2056989018001731crystal structureFeScatalysisproton reductionelectrochemistryH-cluster[FeFe]-hydrogenasehydrogen bonding |
| spellingShingle | Gan Ren Ge Sang Synthesis and crystal structure of decacarbonyl(μ3-3,7-dithianonane-1,9-dithiolato)bis(μ2-propane-1,3-dithiolato)nickel(II)tetrairon(II) dichloromethane disolvate Acta Crystallographica Section E: Crystallographic Communications crystal structure FeS catalysis proton reduction electrochemistry H-cluster [FeFe]-hydrogenase hydrogen bonding |
| title | Synthesis and crystal structure of decacarbonyl(μ3-3,7-dithianonane-1,9-dithiolato)bis(μ2-propane-1,3-dithiolato)nickel(II)tetrairon(II) dichloromethane disolvate |
| title_full | Synthesis and crystal structure of decacarbonyl(μ3-3,7-dithianonane-1,9-dithiolato)bis(μ2-propane-1,3-dithiolato)nickel(II)tetrairon(II) dichloromethane disolvate |
| title_fullStr | Synthesis and crystal structure of decacarbonyl(μ3-3,7-dithianonane-1,9-dithiolato)bis(μ2-propane-1,3-dithiolato)nickel(II)tetrairon(II) dichloromethane disolvate |
| title_full_unstemmed | Synthesis and crystal structure of decacarbonyl(μ3-3,7-dithianonane-1,9-dithiolato)bis(μ2-propane-1,3-dithiolato)nickel(II)tetrairon(II) dichloromethane disolvate |
| title_short | Synthesis and crystal structure of decacarbonyl(μ3-3,7-dithianonane-1,9-dithiolato)bis(μ2-propane-1,3-dithiolato)nickel(II)tetrairon(II) dichloromethane disolvate |
| title_sort | synthesis and crystal structure of decacarbonyl μ3 3 7 dithianonane 1 9 dithiolato bis μ2 propane 1 3 dithiolato nickel ii tetrairon ii dichloromethane disolvate |
| topic | crystal structure FeS catalysis proton reduction electrochemistry H-cluster [FeFe]-hydrogenase hydrogen bonding |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989018001731 |
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