Crystal and molecular structure of the complex boron triferrocenyl-pyridine
The title compound is C/sub 35/H/sub 32/NBFe/sub 3/, monoclinic, P2/sub 1//n, a = 14.204 (4), b = 11.582 (4), c = 17.547 (6) A, ..beta.. = 101.46 (2). The structure was solved by the heavy-atom method and refined by least-squares techniques to an R factor of 0.037 for 3148 observed reflections. The...
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| Veröffentlicht in: | J. Crystallogr. Spectrosc. Res.; (United States) 1987-12, Vol.17 (6), p.719-728 |
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| container_title | J. Crystallogr. Spectrosc. Res.; (United States) |
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| creator | SORIANO-GARCIA, M TOSCANO, R. A LOPEZ, T CAMPERO-CELIS, A |
| description | The title compound is C/sub 35/H/sub 32/NBFe/sub 3/, monoclinic, P2/sub 1//n, a = 14.204 (4), b = 11.582 (4), c = 17.547 (6) A, ..beta.. = 101.46 (2). The structure was solved by the heavy-atom method and refined by least-squares techniques to an R factor of 0.037 for 3148 observed reflections. The X-ray study confirms that in the solid state the structure of the title compound is similar to that inferred from chemical and spectroscopic evidence. The B atom is coordinated by three ferrocenyl groups and a pyridine ring in a distorted tetrahedral array. The molecule has a nearly three-fold axis normal to the plane defined by the ferrocenyl groups. The B-N distance of 1.656 (5) A is larger than that obtained for other compounds studied. Bond lengths and angles for the whole structure are all in accord with similar compounds. The pyridine and cyclopentadienyl rings are planar. The H atoms of the cyclopentadienyl rings are displaced significantly toward their corresponding Fe atom. The molecules in the crystal are packed at normal van der Waals distance. No unusually short intermolecular contacts are noted. |
| doi_str_mv | 10.1007/bf01160736 |
| format | Article |
| fullrecord | <record><control><sourceid>pascalfrancis_osti_</sourceid><recordid>TN_cdi_crossref_primary_10_1007_BF01160736</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>7783404</sourcerecordid><originalsourceid>FETCH-LOGICAL-c351t-173eb650e4da0b4e55b5ca8d2842d48dcb5a0780d6c402acb6aabc721092a96a3</originalsourceid><addsrcrecordid>eNo9kE1Lw0AURQdRsFY3_oIgroTom8xnl1qsigU3ug5vXiY0kmbCzBTMv7dSdXXv4ty7OIxdcrjlAObOtcC5BiP0EZtVwsjSAvBjNoPKmH3X9pSdpfQJIKSwesZel3FKGfsCh6bYht7TrsdYpBx3lHfRF6Et8sYXFLZj778KF2IYihy71scYyA9TX45T7Jpu8OfspMU--YvfnLOP1eP78rlcvz29LO_XJQnFc8mN8E4r8LJBcNIr5RShbSorq0bahpxCMBYaTRIqJKcRHZmKw6LChUYxZ1eH35ByVyfqsqcNhWHwlGu9MFYpu4duDhDFkFL0bT3GbotxqjnUP67qh9Wfqz18fYBHTIR9G3GgLv0vjLFCghTfiRNpaA</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Crystal and molecular structure of the complex boron triferrocenyl-pyridine</title><source>SpringerLink Journals - AutoHoldings</source><creator>SORIANO-GARCIA, M ; TOSCANO, R. A ; LOPEZ, T ; CAMPERO-CELIS, A</creator><creatorcontrib>SORIANO-GARCIA, M ; TOSCANO, R. A ; LOPEZ, T ; CAMPERO-CELIS, A ; Universidad Nacional Autonoma de Mexico Circuito Exterior, Coyoacan</creatorcontrib><description>The title compound is C/sub 35/H/sub 32/NBFe/sub 3/, monoclinic, P2/sub 1//n, a = 14.204 (4), b = 11.582 (4), c = 17.547 (6) A, ..beta.. = 101.46 (2). The structure was solved by the heavy-atom method and refined by least-squares techniques to an R factor of 0.037 for 3148 observed reflections. The X-ray study confirms that in the solid state the structure of the title compound is similar to that inferred from chemical and spectroscopic evidence. The B atom is coordinated by three ferrocenyl groups and a pyridine ring in a distorted tetrahedral array. The molecule has a nearly three-fold axis normal to the plane defined by the ferrocenyl groups. The B-N distance of 1.656 (5) A is larger than that obtained for other compounds studied. Bond lengths and angles for the whole structure are all in accord with similar compounds. The pyridine and cyclopentadienyl rings are planar. The H atoms of the cyclopentadienyl rings are displaced significantly toward their corresponding Fe atom. The molecules in the crystal are packed at normal van der Waals distance. No unusually short intermolecular contacts are noted.</description><identifier>ISSN: 0277-8068</identifier><identifier>EISSN: 2374-8001</identifier><identifier>EISSN: 1572-8854</identifier><identifier>DOI: 10.1007/bf01160736</identifier><identifier>CODEN: JCREDB</identifier><language>eng</language><publisher>New York, NY: Plenum Press</publisher><subject>360602 - Other Materials- Structure & Phase Studies ; 400201 - Chemical & Physicochemical Properties ; ALKENES ; AZINES ; BOND ANGLE ; BOND LENGTHS ; BORON COMPLEXES ; CHEMICAL BONDS ; COHERENT SCATTERING ; COMPLEXES ; Condensed matter: structure, mechanical and thermal properties ; CRYSTAL LATTICES ; CRYSTAL STRUCTURE ; CYCLOALKENES ; CYCLOPENTADIENE ; DIENES ; DIFFRACTION ; DIMENSIONS ; DISTANCE ; Exact sciences and technology ; FERROCENE ; HETEROCYCLIC COMPOUNDS ; HYDROCARBONS ; INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ; INTERATOMIC DISTANCES ; IRON COMPLEXES ; LATTICE PARAMETERS ; LEAST SQUARE FIT ; LENGTH ; MATERIALS SCIENCE ; MAXIMUM-LIKELIHOOD FIT ; MOLECULAR STRUCTURE ; MONOCLINIC LATTICES ; NUMERICAL SOLUTION ; ORGANIC COMPOUNDS ; ORGANIC NITROGEN COMPOUNDS ; Organometalloidal and organometallic compounds ; Physics ; POLYENES ; PYRIDINES ; SCATTERING ; SPACE GROUPS ; STRUCTURAL CHEMICAL ANALYSIS ; Structure of solids and liquids; crystallography ; Structure of specific crystalline solids ; TRANSITION ELEMENT COMPLEXES ; VAN DER WAALS FORCES ; X-RAY DIFFRACTION</subject><ispartof>J. Crystallogr. Spectrosc. Res.; (United States), 1987-12, Vol.17 (6), p.719-728</ispartof><rights>1988 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c351t-173eb650e4da0b4e55b5ca8d2842d48dcb5a0780d6c402acb6aabc721092a96a3</citedby><cites>FETCH-LOGICAL-c351t-173eb650e4da0b4e55b5ca8d2842d48dcb5a0780d6c402acb6aabc721092a96a3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,881,27901,27902</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=7783404$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.osti.gov/biblio/6978558$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>SORIANO-GARCIA, M</creatorcontrib><creatorcontrib>TOSCANO, R. A</creatorcontrib><creatorcontrib>LOPEZ, T</creatorcontrib><creatorcontrib>CAMPERO-CELIS, A</creatorcontrib><creatorcontrib>Universidad Nacional Autonoma de Mexico Circuito Exterior, Coyoacan</creatorcontrib><title>Crystal and molecular structure of the complex boron triferrocenyl-pyridine</title><title>J. Crystallogr. Spectrosc. Res.; (United States)</title><description>The title compound is C/sub 35/H/sub 32/NBFe/sub 3/, monoclinic, P2/sub 1//n, a = 14.204 (4), b = 11.582 (4), c = 17.547 (6) A, ..beta.. = 101.46 (2). The structure was solved by the heavy-atom method and refined by least-squares techniques to an R factor of 0.037 for 3148 observed reflections. The X-ray study confirms that in the solid state the structure of the title compound is similar to that inferred from chemical and spectroscopic evidence. The B atom is coordinated by three ferrocenyl groups and a pyridine ring in a distorted tetrahedral array. The molecule has a nearly three-fold axis normal to the plane defined by the ferrocenyl groups. The B-N distance of 1.656 (5) A is larger than that obtained for other compounds studied. Bond lengths and angles for the whole structure are all in accord with similar compounds. The pyridine and cyclopentadienyl rings are planar. The H atoms of the cyclopentadienyl rings are displaced significantly toward their corresponding Fe atom. The molecules in the crystal are packed at normal van der Waals distance. No unusually short intermolecular contacts are noted.</description><subject>360602 - Other Materials- Structure & Phase Studies</subject><subject>400201 - Chemical & Physicochemical Properties</subject><subject>ALKENES</subject><subject>AZINES</subject><subject>BOND ANGLE</subject><subject>BOND LENGTHS</subject><subject>BORON COMPLEXES</subject><subject>CHEMICAL BONDS</subject><subject>COHERENT SCATTERING</subject><subject>COMPLEXES</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>CRYSTAL LATTICES</subject><subject>CRYSTAL STRUCTURE</subject><subject>CYCLOALKENES</subject><subject>CYCLOPENTADIENE</subject><subject>DIENES</subject><subject>DIFFRACTION</subject><subject>DIMENSIONS</subject><subject>DISTANCE</subject><subject>Exact sciences and technology</subject><subject>FERROCENE</subject><subject>HETEROCYCLIC COMPOUNDS</subject><subject>HYDROCARBONS</subject><subject>INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY</subject><subject>INTERATOMIC DISTANCES</subject><subject>IRON COMPLEXES</subject><subject>LATTICE PARAMETERS</subject><subject>LEAST SQUARE FIT</subject><subject>LENGTH</subject><subject>MATERIALS SCIENCE</subject><subject>MAXIMUM-LIKELIHOOD FIT</subject><subject>MOLECULAR STRUCTURE</subject><subject>MONOCLINIC LATTICES</subject><subject>NUMERICAL SOLUTION</subject><subject>ORGANIC COMPOUNDS</subject><subject>ORGANIC NITROGEN COMPOUNDS</subject><subject>Organometalloidal and organometallic compounds</subject><subject>Physics</subject><subject>POLYENES</subject><subject>PYRIDINES</subject><subject>SCATTERING</subject><subject>SPACE GROUPS</subject><subject>STRUCTURAL CHEMICAL ANALYSIS</subject><subject>Structure of solids and liquids; crystallography</subject><subject>Structure of specific crystalline solids</subject><subject>TRANSITION ELEMENT COMPLEXES</subject><subject>VAN DER WAALS FORCES</subject><subject>X-RAY DIFFRACTION</subject><issn>0277-8068</issn><issn>2374-8001</issn><issn>1572-8854</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1987</creationdate><recordtype>article</recordtype><recordid>eNo9kE1Lw0AURQdRsFY3_oIgroTom8xnl1qsigU3ug5vXiY0kmbCzBTMv7dSdXXv4ty7OIxdcrjlAObOtcC5BiP0EZtVwsjSAvBjNoPKmH3X9pSdpfQJIKSwesZel3FKGfsCh6bYht7TrsdYpBx3lHfRF6Et8sYXFLZj778KF2IYihy71scYyA9TX45T7Jpu8OfspMU--YvfnLOP1eP78rlcvz29LO_XJQnFc8mN8E4r8LJBcNIr5RShbSorq0bahpxCMBYaTRIqJKcRHZmKw6LChUYxZ1eH35ByVyfqsqcNhWHwlGu9MFYpu4duDhDFkFL0bT3GbotxqjnUP67qh9Wfqz18fYBHTIR9G3GgLv0vjLFCghTfiRNpaA</recordid><startdate>19871201</startdate><enddate>19871201</enddate><creator>SORIANO-GARCIA, M</creator><creator>TOSCANO, R. A</creator><creator>LOPEZ, T</creator><creator>CAMPERO-CELIS, A</creator><general>Plenum Press</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>OTOTI</scope></search><sort><creationdate>19871201</creationdate><title>Crystal and molecular structure of the complex boron triferrocenyl-pyridine</title><author>SORIANO-GARCIA, M ; TOSCANO, R. A ; LOPEZ, T ; CAMPERO-CELIS, A</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c351t-173eb650e4da0b4e55b5ca8d2842d48dcb5a0780d6c402acb6aabc721092a96a3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1987</creationdate><topic>360602 - Other Materials- Structure & Phase Studies</topic><topic>400201 - Chemical & Physicochemical Properties</topic><topic>ALKENES</topic><topic>AZINES</topic><topic>BOND ANGLE</topic><topic>BOND LENGTHS</topic><topic>BORON COMPLEXES</topic><topic>CHEMICAL BONDS</topic><topic>COHERENT SCATTERING</topic><topic>COMPLEXES</topic><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>CRYSTAL LATTICES</topic><topic>CRYSTAL STRUCTURE</topic><topic>CYCLOALKENES</topic><topic>CYCLOPENTADIENE</topic><topic>DIENES</topic><topic>DIFFRACTION</topic><topic>DIMENSIONS</topic><topic>DISTANCE</topic><topic>Exact sciences and technology</topic><topic>FERROCENE</topic><topic>HETEROCYCLIC COMPOUNDS</topic><topic>HYDROCARBONS</topic><topic>INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY</topic><topic>INTERATOMIC DISTANCES</topic><topic>IRON COMPLEXES</topic><topic>LATTICE PARAMETERS</topic><topic>LEAST SQUARE FIT</topic><topic>LENGTH</topic><topic>MATERIALS SCIENCE</topic><topic>MAXIMUM-LIKELIHOOD FIT</topic><topic>MOLECULAR STRUCTURE</topic><topic>MONOCLINIC LATTICES</topic><topic>NUMERICAL SOLUTION</topic><topic>ORGANIC COMPOUNDS</topic><topic>ORGANIC NITROGEN COMPOUNDS</topic><topic>Organometalloidal and organometallic compounds</topic><topic>Physics</topic><topic>POLYENES</topic><topic>PYRIDINES</topic><topic>SCATTERING</topic><topic>SPACE GROUPS</topic><topic>STRUCTURAL CHEMICAL ANALYSIS</topic><topic>Structure of solids and liquids; crystallography</topic><topic>Structure of specific crystalline solids</topic><topic>TRANSITION ELEMENT COMPLEXES</topic><topic>VAN DER WAALS FORCES</topic><topic>X-RAY DIFFRACTION</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>SORIANO-GARCIA, M</creatorcontrib><creatorcontrib>TOSCANO, R. A</creatorcontrib><creatorcontrib>LOPEZ, T</creatorcontrib><creatorcontrib>CAMPERO-CELIS, A</creatorcontrib><creatorcontrib>Universidad Nacional Autonoma de Mexico Circuito Exterior, Coyoacan</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>OSTI.GOV</collection><jtitle>J. Crystallogr. Spectrosc. Res.; (United States)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>SORIANO-GARCIA, M</au><au>TOSCANO, R. A</au><au>LOPEZ, T</au><au>CAMPERO-CELIS, A</au><aucorp>Universidad Nacional Autonoma de Mexico Circuito Exterior, Coyoacan</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Crystal and molecular structure of the complex boron triferrocenyl-pyridine</atitle><jtitle>J. Crystallogr. Spectrosc. Res.; (United States)</jtitle><date>1987-12-01</date><risdate>1987</risdate><volume>17</volume><issue>6</issue><spage>719</spage><epage>728</epage><pages>719-728</pages><issn>0277-8068</issn><eissn>2374-8001</eissn><eissn>1572-8854</eissn><coden>JCREDB</coden><abstract>The title compound is C/sub 35/H/sub 32/NBFe/sub 3/, monoclinic, P2/sub 1//n, a = 14.204 (4), b = 11.582 (4), c = 17.547 (6) A, ..beta.. = 101.46 (2). The structure was solved by the heavy-atom method and refined by least-squares techniques to an R factor of 0.037 for 3148 observed reflections. The X-ray study confirms that in the solid state the structure of the title compound is similar to that inferred from chemical and spectroscopic evidence. The B atom is coordinated by three ferrocenyl groups and a pyridine ring in a distorted tetrahedral array. The molecule has a nearly three-fold axis normal to the plane defined by the ferrocenyl groups. The B-N distance of 1.656 (5) A is larger than that obtained for other compounds studied. Bond lengths and angles for the whole structure are all in accord with similar compounds. The pyridine and cyclopentadienyl rings are planar. The H atoms of the cyclopentadienyl rings are displaced significantly toward their corresponding Fe atom. The molecules in the crystal are packed at normal van der Waals distance. No unusually short intermolecular contacts are noted.</abstract><cop>New York, NY</cop><pub>Plenum Press</pub><doi>10.1007/bf01160736</doi><tpages>10</tpages></addata></record> |
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| identifier | ISSN: 0277-8068 |
| ispartof | J. Crystallogr. Spectrosc. Res.; (United States), 1987-12, Vol.17 (6), p.719-728 |
| issn | 0277-8068 2374-8001 1572-8854 |
| language | eng |
| recordid | cdi_crossref_primary_10_1007_BF01160736 |
| source | SpringerLink Journals - AutoHoldings |
| subjects | 360602 - Other Materials- Structure & Phase Studies 400201 - Chemical & Physicochemical Properties ALKENES AZINES BOND ANGLE BOND LENGTHS BORON COMPLEXES CHEMICAL BONDS COHERENT SCATTERING COMPLEXES Condensed matter: structure, mechanical and thermal properties CRYSTAL LATTICES CRYSTAL STRUCTURE CYCLOALKENES CYCLOPENTADIENE DIENES DIFFRACTION DIMENSIONS DISTANCE Exact sciences and technology FERROCENE HETEROCYCLIC COMPOUNDS HYDROCARBONS INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY INTERATOMIC DISTANCES IRON COMPLEXES LATTICE PARAMETERS LEAST SQUARE FIT LENGTH MATERIALS SCIENCE MAXIMUM-LIKELIHOOD FIT MOLECULAR STRUCTURE MONOCLINIC LATTICES NUMERICAL SOLUTION ORGANIC COMPOUNDS ORGANIC NITROGEN COMPOUNDS Organometalloidal and organometallic compounds Physics POLYENES PYRIDINES SCATTERING SPACE GROUPS STRUCTURAL CHEMICAL ANALYSIS Structure of solids and liquids crystallography Structure of specific crystalline solids TRANSITION ELEMENT COMPLEXES VAN DER WAALS FORCES X-RAY DIFFRACTION |
| title | Crystal and molecular structure of the complex boron triferrocenyl-pyridine |
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