Triethanolaminate iron perchlorate revisited: change of space group, chemical composition and oxidation states in [Fe7(tea)3(tea‐H)3](ClO4)2 (tea‐H3 is triethanolamine)
The X‐ray crystal structure of tris[N‐(2‐hydroxyethyl)‐2,2′‐iminodiethanolato]tris(2,2′,2′′‐nitrilotriethanolato)tetrairon(II)triiron(III) bis(perchlorate), [Fe7(C6H12NO3)3(C6H13NO3)3](ClO4)2 or [Fe7(tea)3(tea‐H)3](ClO4)2 (tea‐H3 is triethanolamine), is known from the literature [Liu et al. (2008)....
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| Veröffentlicht in: | Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2018-02, Vol.74 (2), p.125-130 |
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| creator | Horn, Jitschaq A. van der Lutz, Martin |
| description | The X‐ray crystal structure of tris[N‐(2‐hydroxyethyl)‐2,2′‐iminodiethanolato]tris(2,2′,2′′‐nitrilotriethanolato)tetrairon(II)triiron(III) bis(perchlorate), [Fe7(C6H12NO3)3(C6H13NO3)3](ClO4)2 or [Fe7(tea)3(tea‐H)3](ClO4)2 (tea‐H3 is triethanolamine), is known from the literature [Liu et al. (2008). Z. Anorg. Allg. Chem.634, 778–783] as a heptanuclear coordination cluster. The space group was given as I213 and is reinvestigated in the present study. We find a new space‐group symmetry of Pa and could detect O—H hydrogens, which were missing in the original publication. Consequences on the Fe oxidation states are investigated with the bond‐valence method, resulting in a mixed‐valence core of four FeII and three FeIII centres. Symmetry relationships between the two space groups and the average supergroup Ia are discussed in detail.
Reinvestigation of the literature structure of triethanolaminate iron perchlorate results in a different space‐group symmetry, different molecular composition, different hydrogen bonding and different iron oxidation states. |
| doi_str_mv | 10.1107/S2053229617018460 |
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Reinvestigation of the literature structure of triethanolaminate iron perchlorate results in a different space‐group symmetry, different molecular composition, different hydrogen bonding and different iron oxidation states.</description><identifier>ISSN: 2053-2296</identifier><identifier>ISSN: 0108-2701</identifier><identifier>EISSN: 2053-2296</identifier><identifier>EISSN: 1600-5759</identifier><identifier>DOI: 10.1107/S2053229617018460</identifier><identifier>PMID: 29400325</identifier><language>eng</language><publisher>5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of Crystallography</publisher><subject>Chemicals ; Crystal structure ; Diffraction ; heptanuclear mixed‐valence coordination cluster ; Iron ; iron oxidation state ; Oxidation ; Perchlorate ; pseudosymmetry ; Symmetry ; Tea ; Triethanolamine ; validation</subject><ispartof>Acta crystallographica. Section C, Crystal structure communications, 2018-02, Vol.74 (2), p.125-130</ispartof><rights>International Union of Crystallography, 2018</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c2893-6d3ed71a8563cfd59c4eb53429df97670782ef0adc781b31ccc37bb8785f8e4f3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1107%2FS2053229617018460$$EPDF$$P50$$Gwiley$$H</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1107%2FS2053229617018460$$EHTML$$P50$$Gwiley$$H</linktohtml><link.rule.ids>314,776,780,1411,27901,27902,45550,45551</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/29400325$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Horn, Jitschaq A. van der</creatorcontrib><creatorcontrib>Lutz, Martin</creatorcontrib><title>Triethanolaminate iron perchlorate revisited: change of space group, chemical composition and oxidation states in [Fe7(tea)3(tea‐H)3](ClO4)2 (tea‐H3 is triethanolamine)</title><title>Acta crystallographica. Section C, Crystal structure communications</title><addtitle>Acta Crystallogr C Struct Chem</addtitle><description>The X‐ray crystal structure of tris[N‐(2‐hydroxyethyl)‐2,2′‐iminodiethanolato]tris(2,2′,2′′‐nitrilotriethanolato)tetrairon(II)triiron(III) bis(perchlorate), [Fe7(C6H12NO3)3(C6H13NO3)3](ClO4)2 or [Fe7(tea)3(tea‐H)3](ClO4)2 (tea‐H3 is triethanolamine), is known from the literature [Liu et al. (2008). Z. Anorg. Allg. Chem.634, 778–783] as a heptanuclear coordination cluster. The space group was given as I213 and is reinvestigated in the present study. We find a new space‐group symmetry of Pa and could detect O—H hydrogens, which were missing in the original publication. Consequences on the Fe oxidation states are investigated with the bond‐valence method, resulting in a mixed‐valence core of four FeII and three FeIII centres. Symmetry relationships between the two space groups and the average supergroup Ia are discussed in detail.
Reinvestigation of the literature structure of triethanolaminate iron perchlorate results in a different space‐group symmetry, different molecular composition, different hydrogen bonding and different iron oxidation states.</description><subject>Chemicals</subject><subject>Crystal structure</subject><subject>Diffraction</subject><subject>heptanuclear mixed‐valence coordination cluster</subject><subject>Iron</subject><subject>iron oxidation state</subject><subject>Oxidation</subject><subject>Perchlorate</subject><subject>pseudosymmetry</subject><subject>Symmetry</subject><subject>Tea</subject><subject>Triethanolamine</subject><subject>validation</subject><issn>2053-2296</issn><issn>0108-2701</issn><issn>2053-2296</issn><issn>1600-5759</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2018</creationdate><recordtype>article</recordtype><recordid>eNqFkc9qFTEUxoMotrR9ADcScHMveGuSMzOZuCsXry0UilgXIjJkkjNtysxkmsyo3fkIPohP5ZM0423FPws3Jycfv-_jwEfIE84OOWfyxVvBchBCFVwyXmYFe0B2Z2k1aw9_23fIQYxXjDHORS4lf0x2hMoYA5Hvku_nweF4qXvf6s71ekTqgu_pgMFctj7MQsBPLroR7UtqEnmB1Dc0DtogvQh-Gp4nGTtndEuN7wafWJcidG-p_-Ks_vmLY4qK1PX0wwblYkS9hHn--PrteAkfF-v2LFsKei8BdZGOf9yGy33yqNFtxIO7d4-827w6Xx-vTs9en6yPTldGlApWhQW0kusyL8A0NlcmwzqHTCjbKFlIJkuBDdPWyJLXwI0xIOu6lGXelJg1sEcW29wh-OsJ41h1LhpsW92jn2LFlcqg4IVQCX32F3rlp9Cn62YKlMhAQqL4ljLBxxiwqYbgOh1uKs6quc3qnzaT5-ld8lR3aH857rtLgNoCn12LN_9PrI7er8WbDSQ33AJixKwy</recordid><startdate>201802</startdate><enddate>201802</enddate><creator>Horn, Jitschaq A. van der</creator><creator>Lutz, Martin</creator><general>International Union of Crystallography</general><general>Wiley Subscription Services, Inc</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>7X8</scope></search><sort><creationdate>201802</creationdate><title>Triethanolaminate iron perchlorate revisited: change of space group, chemical composition and oxidation states in [Fe7(tea)3(tea‐H)3](ClO4)2 (tea‐H3 is triethanolamine)</title><author>Horn, Jitschaq A. van der ; Lutz, Martin</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c2893-6d3ed71a8563cfd59c4eb53429df97670782ef0adc781b31ccc37bb8785f8e4f3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2018</creationdate><topic>Chemicals</topic><topic>Crystal structure</topic><topic>Diffraction</topic><topic>heptanuclear mixed‐valence coordination cluster</topic><topic>Iron</topic><topic>iron oxidation state</topic><topic>Oxidation</topic><topic>Perchlorate</topic><topic>pseudosymmetry</topic><topic>Symmetry</topic><topic>Tea</topic><topic>Triethanolamine</topic><topic>validation</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Horn, Jitschaq A. van der</creatorcontrib><creatorcontrib>Lutz, Martin</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>Acta crystallographica. Section C, Crystal structure communications</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Horn, Jitschaq A. van der</au><au>Lutz, Martin</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Triethanolaminate iron perchlorate revisited: change of space group, chemical composition and oxidation states in [Fe7(tea)3(tea‐H)3](ClO4)2 (tea‐H3 is triethanolamine)</atitle><jtitle>Acta crystallographica. Section C, Crystal structure communications</jtitle><addtitle>Acta Crystallogr C Struct Chem</addtitle><date>2018-02</date><risdate>2018</risdate><volume>74</volume><issue>2</issue><spage>125</spage><epage>130</epage><pages>125-130</pages><issn>2053-2296</issn><issn>0108-2701</issn><eissn>2053-2296</eissn><eissn>1600-5759</eissn><abstract>The X‐ray crystal structure of tris[N‐(2‐hydroxyethyl)‐2,2′‐iminodiethanolato]tris(2,2′,2′′‐nitrilotriethanolato)tetrairon(II)triiron(III) bis(perchlorate), [Fe7(C6H12NO3)3(C6H13NO3)3](ClO4)2 or [Fe7(tea)3(tea‐H)3](ClO4)2 (tea‐H3 is triethanolamine), is known from the literature [Liu et al. (2008). Z. Anorg. Allg. Chem.634, 778–783] as a heptanuclear coordination cluster. The space group was given as I213 and is reinvestigated in the present study. We find a new space‐group symmetry of Pa and could detect O—H hydrogens, which were missing in the original publication. Consequences on the Fe oxidation states are investigated with the bond‐valence method, resulting in a mixed‐valence core of four FeII and three FeIII centres. Symmetry relationships between the two space groups and the average supergroup Ia are discussed in detail.
Reinvestigation of the literature structure of triethanolaminate iron perchlorate results in a different space‐group symmetry, different molecular composition, different hydrogen bonding and different iron oxidation states.</abstract><cop>5 Abbey Square, Chester, Cheshire CH1 2HU, England</cop><pub>International Union of Crystallography</pub><pmid>29400325</pmid><doi>10.1107/S2053229617018460</doi><tpages>5</tpages><oa>free_for_read</oa></addata></record> |
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| source | Wiley Online Library Journals Frontfile Complete; Alma/SFX Local Collection |
| subjects | Chemicals Crystal structure Diffraction heptanuclear mixed‐valence coordination cluster Iron iron oxidation state Oxidation Perchlorate pseudosymmetry Symmetry Tea Triethanolamine validation |
| title | Triethanolaminate iron perchlorate revisited: change of space group, chemical composition and oxidation states in [Fe7(tea)3(tea‐H)3](ClO4)2 (tea‐H3 is triethanolamine) |
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