Fe/Ga-CFA-6 - metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligandElectronic supplementary information (ESI) is available: Rietveld refinement plots for Ga-CFA-6, asymmetric unit of Fe-CFA-6, atomic coordinates and isotropic thermal parameters, selected bond lengths and angles for Fe-CFA-6 and Ga-CFA-6. CCDC 1014603 and 1014604. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4ce01583e

The synthesis and crystal structures of the new porous coordination polymers M-CFA-6 (M = Ga, Fe) are described. The structure motif of the M-CFA-6 framework (termed C oordination F ramework A ugsburg University-6, CFA-6 ) is closely related to that of the MIL-53 due to its octahedrally coordinated...

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Hauptverfasser: Spirkl, Sebastian, Grzywa, Maciej, Zehe, Christoph S, Senker, Jürgen, Demeshko, Serhiy, Meyer, Franc, Riegg, Stefan, Volkmer, Dirk
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Volkmer, Dirk
description The synthesis and crystal structures of the new porous coordination polymers M-CFA-6 (M = Ga, Fe) are described. The structure motif of the M-CFA-6 framework (termed C oordination F ramework A ugsburg University-6, CFA-6 ) is closely related to that of the MIL-53 due to its octahedrally coordinated metal centers, bridging hydroxyl groups and the bifunctional 4,4′-bipyrazolyl ligand. Structural properties of the compounds were obtained via XRPD and single-crystal diffraction methods. Ga-CFA-6 and Fe-CFA-6 are isomorphous and crystallize in the orthorhombic crystal system within the space group Imma (no. 74), with the following unit cell parameters: Ga-CFA-6 , a = 14.8281(16) Å, b = 6.4872(5) Å, c = 11.3503(12) Å, V = 1091.82(19) Å 3 ; Fe-CFA-6·0.6DMAc , a = 14.8424(19) Å, b = 6.6238(9) Å, c = 11.7467(18) Å, V = 1154.9(3) Å 3 . Coordination polymers M-CFA-6 were characterized by elemental and thermogravimetric analyses. Variable temperature powder X-ray diffraction, diffuse reflectance infrared Fourier transform spectroscopy and BET measurements confirmed the stability of the frameworks up to 250 and 300 °C ( Ga-CFA-6 and Fe-CFA-6 , respectively) and the porous characters of these compounds. The connectivity of the framework and symmetry of the space group were confirmed by MAS-NMR spectroscopy of Ga-CFA-6 . Mössbauer spectroscopy and magnetic measurements were applied to determine the oxidation state of the iron centers in Fe-CFA-6 . Two novel metal-organic frameworks Fe-/Ga-CFA-6 based on trivalent metal centers and 4,4′-bipyrazolate linkers are presented and characterized in this work.
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CCDC 1014603 and 1014604. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4ce01583e</title><source>Royal Society Of Chemistry Journals 2008-</source><source>Alma/SFX Local Collection</source><creator>Spirkl, Sebastian ; Grzywa, Maciej ; Zehe, Christoph S ; Senker, Jürgen ; Demeshko, Serhiy ; Meyer, Franc ; Riegg, Stefan ; Volkmer, Dirk</creator><creatorcontrib>Spirkl, Sebastian ; Grzywa, Maciej ; Zehe, Christoph S ; Senker, Jürgen ; Demeshko, Serhiy ; Meyer, Franc ; Riegg, Stefan ; Volkmer, Dirk</creatorcontrib><description>The synthesis and crystal structures of the new porous coordination polymers M-CFA-6 (M = Ga, Fe) are described. The structure motif of the M-CFA-6 framework (termed C oordination F ramework A ugsburg University-6, CFA-6 ) is closely related to that of the MIL-53 due to its octahedrally coordinated metal centers, bridging hydroxyl groups and the bifunctional 4,4′-bipyrazolyl ligand. Structural properties of the compounds were obtained via XRPD and single-crystal diffraction methods. Ga-CFA-6 and Fe-CFA-6 are isomorphous and crystallize in the orthorhombic crystal system within the space group Imma (no. 74), with the following unit cell parameters: Ga-CFA-6 , a = 14.8281(16) Å, b = 6.4872(5) Å, c = 11.3503(12) Å, V = 1091.82(19) Å 3 ; Fe-CFA-6·0.6DMAc , a = 14.8424(19) Å, b = 6.6238(9) Å, c = 11.7467(18) Å, V = 1154.9(3) Å 3 . Coordination polymers M-CFA-6 were characterized by elemental and thermogravimetric analyses. Variable temperature powder X-ray diffraction, diffuse reflectance infrared Fourier transform spectroscopy and BET measurements confirmed the stability of the frameworks up to 250 and 300 °C ( Ga-CFA-6 and Fe-CFA-6 , respectively) and the porous characters of these compounds. The connectivity of the framework and symmetry of the space group were confirmed by MAS-NMR spectroscopy of Ga-CFA-6 . Mössbauer spectroscopy and magnetic measurements were applied to determine the oxidation state of the iron centers in Fe-CFA-6 . 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CCDC 1014603 and 1014604. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4ce01583e</title><description>The synthesis and crystal structures of the new porous coordination polymers M-CFA-6 (M = Ga, Fe) are described. The structure motif of the M-CFA-6 framework (termed C oordination F ramework A ugsburg University-6, CFA-6 ) is closely related to that of the MIL-53 due to its octahedrally coordinated metal centers, bridging hydroxyl groups and the bifunctional 4,4′-bipyrazolyl ligand. Structural properties of the compounds were obtained via XRPD and single-crystal diffraction methods. Ga-CFA-6 and Fe-CFA-6 are isomorphous and crystallize in the orthorhombic crystal system within the space group Imma (no. 74), with the following unit cell parameters: Ga-CFA-6 , a = 14.8281(16) Å, b = 6.4872(5) Å, c = 11.3503(12) Å, V = 1091.82(19) Å 3 ; Fe-CFA-6·0.6DMAc , a = 14.8424(19) Å, b = 6.6238(9) Å, c = 11.7467(18) Å, V = 1154.9(3) Å 3 . Coordination polymers M-CFA-6 were characterized by elemental and thermogravimetric analyses. Variable temperature powder X-ray diffraction, diffuse reflectance infrared Fourier transform spectroscopy and BET measurements confirmed the stability of the frameworks up to 250 and 300 °C ( Ga-CFA-6 and Fe-CFA-6 , respectively) and the porous characters of these compounds. The connectivity of the framework and symmetry of the space group were confirmed by MAS-NMR spectroscopy of Ga-CFA-6 . Mössbauer spectroscopy and magnetic measurements were applied to determine the oxidation state of the iron centers in Fe-CFA-6 . 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CCDC 1014603 and 1014604. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4ce01583e</title><author>Spirkl, Sebastian ; Grzywa, Maciej ; Zehe, Christoph S ; Senker, Jürgen ; Demeshko, Serhiy ; Meyer, Franc ; Riegg, Stefan ; Volkmer, Dirk</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-rsc_primary_c4ce01583e3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2014</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Spirkl, Sebastian</creatorcontrib><creatorcontrib>Grzywa, Maciej</creatorcontrib><creatorcontrib>Zehe, Christoph S</creatorcontrib><creatorcontrib>Senker, Jürgen</creatorcontrib><creatorcontrib>Demeshko, Serhiy</creatorcontrib><creatorcontrib>Meyer, Franc</creatorcontrib><creatorcontrib>Riegg, Stefan</creatorcontrib><creatorcontrib>Volkmer, Dirk</creatorcontrib></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Spirkl, Sebastian</au><au>Grzywa, Maciej</au><au>Zehe, Christoph S</au><au>Senker, Jürgen</au><au>Demeshko, Serhiy</au><au>Meyer, Franc</au><au>Riegg, Stefan</au><au>Volkmer, Dirk</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Fe/Ga-CFA-6 - metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligandElectronic supplementary information (ESI) is available: Rietveld refinement plots for Ga-CFA-6, asymmetric unit of Fe-CFA-6, atomic coordinates and isotropic thermal parameters, selected bond lengths and angles for Fe-CFA-6 and Ga-CFA-6. CCDC 1014603 and 1014604. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4ce01583e</atitle><date>2014-12-08</date><risdate>2014</risdate><volume>17</volume><issue>2</issue><spage>313</spage><epage>322</epage><pages>313-322</pages><eissn>1466-8033</eissn><abstract>The synthesis and crystal structures of the new porous coordination polymers M-CFA-6 (M = Ga, Fe) are described. The structure motif of the M-CFA-6 framework (termed C oordination F ramework A ugsburg University-6, CFA-6 ) is closely related to that of the MIL-53 due to its octahedrally coordinated metal centers, bridging hydroxyl groups and the bifunctional 4,4′-bipyrazolyl ligand. Structural properties of the compounds were obtained via XRPD and single-crystal diffraction methods. Ga-CFA-6 and Fe-CFA-6 are isomorphous and crystallize in the orthorhombic crystal system within the space group Imma (no. 74), with the following unit cell parameters: Ga-CFA-6 , a = 14.8281(16) Å, b = 6.4872(5) Å, c = 11.3503(12) Å, V = 1091.82(19) Å 3 ; Fe-CFA-6·0.6DMAc , a = 14.8424(19) Å, b = 6.6238(9) Å, c = 11.7467(18) Å, V = 1154.9(3) Å 3 . Coordination polymers M-CFA-6 were characterized by elemental and thermogravimetric analyses. Variable temperature powder X-ray diffraction, diffuse reflectance infrared Fourier transform spectroscopy and BET measurements confirmed the stability of the frameworks up to 250 and 300 °C ( Ga-CFA-6 and Fe-CFA-6 , respectively) and the porous characters of these compounds. The connectivity of the framework and symmetry of the space group were confirmed by MAS-NMR spectroscopy of Ga-CFA-6 . Mössbauer spectroscopy and magnetic measurements were applied to determine the oxidation state of the iron centers in Fe-CFA-6 . Two novel metal-organic frameworks Fe-/Ga-CFA-6 based on trivalent metal centers and 4,4′-bipyrazolate linkers are presented and characterized in this work.</abstract><doi>10.1039/c4ce01583e</doi><tpages>1</tpages></addata></record>
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title Fe/Ga-CFA-6 - metal organic frameworks featuring trivalent metal centers and the 4,4′-bipyrazolyl ligandElectronic supplementary information (ESI) is available: Rietveld refinement plots for Ga-CFA-6, asymmetric unit of Fe-CFA-6, atomic coordinates and isotropic thermal parameters, selected bond lengths and angles for Fe-CFA-6 and Ga-CFA-6. CCDC 1014603 and 1014604. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4ce01583e
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