![Iron, dicarbonyltetrakis[.mu.-(cyano-C:N)]bis(.eta.5-2,4-cyclopentadien-1-y l)bis(difluoroboron)di-](/api/spectrum/5qXqVkDErKt/structure.png?h=300&w=458 "Iron, dicarbonyltetrakis[.mu.-(cyano-C:N)]bis(.eta.5-2,4-cyclopentadien-1-y l)bis(difluoroboron)di-")
| SpectraBase Compound ID | Hg1csTkVm9X |
|---|---|
| InChI | InChI=1S/2C5H5.2C2BF2N2.2CO.2Fe/c2*1-2-4-5-3-1;2*1-6-3(4,5)7-2;2*1-2;;/h2*1-5H;;;;;;/q;;2*+2;;;; |
| InChIKey | XMIPYUZLZYFZDS-UHFFFAOYSA-N |
| Mol Weight | 499.6 g/mol |
| Molecular Formula | C16H10B2F4Fe2N4O2 |
| Exact Mass | 499.962471 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5qXqVkDErKt |
|---|---|
| Name | Iron, dicarbonyltetrakis[.mu.-(cyano-C:N)]bis(.eta.5-2,4-cyclopentadien-1-y l)bis(difluoroboron)di- |
| CAS Registry Number | 60039-72-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H10B2F4Fe2N4O2 |
| InChI | InChI=1S/2C5H5.2C2BF2N2.2CO.2Fe/c2*1-2-4-5-3-1;2*1-6-3(4,5)7-2;2*1-2;;/h2*1-5H;;;;;;/q;;2*+2;;;; |
| InChIKey | XMIPYUZLZYFZDS-UHFFFAOYSA-N |
| Molecular Weight | 499.586 g/mol |
| SMILES | [C@]12([Fe]3456([C@]2([C@@]5([C@@]4([C@]13[H])[H])[H])[H])(C#[N+][B]([N+]#C[Fe]1234(C#[N+][B]([N+]#C6)(F)F)([C@]5([C@@]4([C@@]1([C@@]2([C@@]35[H])[H])[H])[H])[H])C#[O])(F)F)C#[O])[H] |
| SPLASH | splash10-00dj-3962100000-8507c37556e9b01028ee |
| Source of Spectrum | AG-112-328-2 |
| Synonyms | (.eta.5-cyclopentadienyl)(carbonyl)(trifluoroisocyanoborate)iron (.eta.5-Cyclopentadienyl)(carbonyl)(trifluoroisocyanoborate)iron potassium bromide 6',6',12',12'-tetrafluoro-1,3'-bis(hydroxymethyl)-1',5',6',7',11',12'-dispiro[1-ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane-1,9'-[1,5,7,11]tetraaza-[6,12]dibora-[3,9]diferracyclododecane-3',1''-[1]ferrapentacyclo[2.2.0.0(1,3).0(1,5).0(2,6)]hexane]-1',4',7',10'-tetrayne-1',5',7',11'-tetrakis(ylium) |
| Wiley ID | 1398769 |