Crystal structure of tetrakis(acetylacetonato)dichloridodi-μ3-methanolato-tetra-μ2-methanolato-tetrairon(III)

Richers, Casseday P.; Bertke, Jeffery A.; Gray, Danielle L.; Rauchfuss, Thomas B.

doi:10.1107/S2056989015013535

Title: Crystal structure of tetrakis(acetylacetonato)dichloridodi-μ₃-methanolato-tetra-μ₂-methanolato-tetrairon(III)

Abstract

The title complex, [Fe₄(C₅H₇O₂)₄(CH₃O)₆Cl₂] or [Fe₄(acac)₄(μ₂-OMe)₄(μ₃-OMe)₂Cl₂] (acac = acetylacetonate), crystallizes in the orthorhombic Pbca space group with one half of the molecule per asymmetric unit, the other half being completed by inversion symmetry. The core structure consists of a face-sharing double pseudo-cubane entity with two opposite corners missing. Weak C—H...Cl intermolecular interactions result in a two-dimensional layered structure parallel to the ac plane.

Authors:

Richers, Casseday P. ^[1]; Bertke, Jeffery A. ^[1]; Gray, Danielle L. ^[1]; Rauchfuss, Thomas B. ^[1]

Univ. of Illinois at Urbana-Champaign, IL (United States). School of Chemical Sciences

Publication Date:: Wed Jul 29 00:00:00 EDT 2015

Research Org.:: Univ. of Illinois at Urbana-Champaign, IL (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences & Biosciences Division

OSTI Identifier:: 1630041

Grant/Contract Number:: FG02-90ER14146

Resource Type:: Accepted Manuscript

Journal Name:: Acta Crystallographica. Section E, Crystallographic Communications

Additional Journal Information:: Journal Volume: 71; Journal Issue: 8; Journal ID: ISSN 2056-9890

Publisher:: International Union of Crystallography

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Richers, Casseday P., Bertke, Jeffery A., Gray, Danielle L., and Rauchfuss, Thomas B. Crystal structure of tetrakis(acetylacetonato)dichloridodi-μ3-methanolato-tetra-μ2-methanolato-tetrairon(III).  United States: N. p., 2015. 
Web.  doi:10.1107/S2056989015013535.

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                    Richers, Casseday P., Bertke, Jeffery A., Gray, Danielle L., & Rauchfuss, Thomas B. Crystal structure of tetrakis(acetylacetonato)dichloridodi-μ3-methanolato-tetra-μ2-methanolato-tetrairon(III).  United States.  https://doi.org/10.1107/S2056989015013535

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                    Richers, Casseday P., Bertke, Jeffery A., Gray, Danielle L., and Rauchfuss, Thomas B. Wed .  
"Crystal structure of tetrakis(acetylacetonato)dichloridodi-μ3-methanolato-tetra-μ2-methanolato-tetrairon(III)".  United States.  https://doi.org/10.1107/S2056989015013535.  https://www.osti.gov/servlets/purl/1630041.

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@article{osti_1630041,

  title        = {Crystal structure of tetrakis(acetylacetonato)dichloridodi-μ3-methanolato-tetra-μ2-methanolato-tetrairon(III)},

  author       = {Richers, Casseday P. and Bertke, Jeffery A. and Gray, Danielle L. and Rauchfuss, Thomas B.},

  abstractNote = {The title complex, [Fe4(C5H7O2)4(CH3O)6Cl2] or [Fe4(acac)4(μ2-OMe)4(μ3-OMe)2Cl2] (acac = acetylacetonate), crystallizes in the orthorhombic Pbca space group with one half of the molecule per asymmetric unit, the other half being completed by inversion symmetry. The core structure consists of a face-sharing double pseudo-cubane entity with two opposite corners missing. Weak C—H...Cl intermolecular interactions result in a two-dimensional layered structure parallel to the ac plane.},

  doi          = {10.1107/S2056989015013535},

  journal      = {Acta Crystallographica. Section E, Crystallographic Communications},

  number       = 8,

  volume       = 71,

  place        = {United States},

  year         = {Wed Jul 29 00:00:00 EDT 2015},

  month        = {Wed Jul 29 00:00:00 EDT 2015}

}

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Works referencing / citing this record:

Syntheses of transition metal methoxysiloxides
journal, January 2017

Richers, Casseday P.; Bertke, Jeffery A.; Rauchfuss, Thomas B.
Dalton Transactions, Vol. 46, Issue 27
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Title: Crystal structure of tetrakis(acetylacetonato)dichloridodi-μ3-methanolato-tetra-μ2-methanolato-tetrairon(III)

Abstract

Citation Formats

The action of tin compounds in condensation‐type RTV silicone rubbers journal, December 1980

New Family of Ferric Spin Clusters Incorporating Redox-Active ortho -Dioxolene Ligands journal, August 2009

Coordinative flexibility of the 2-amino-2-(hydroxymethyl)propane-1,3-diol ligand in the synthesis of polynuclear Fe(III) complexes journal, March 2013

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A short history of SHELX journal, December 2007

Synthesis, Characterization, and Catalytic Performance of Single-Site Iron(III) Centers on the Surface of SBA-15 Silica journal, November 2002

Iridium(I) Hydroxides: Powerful Synthons for Bond Activation journal, April 2013

Synthesis and characterisation of new iron(III) compounds containing the first examples of pendant-armed alcohols of cyclen journal, February 2009

The Fluoride-Free Transmetalation of Organosilanes to Gold journal, October 2012

Preparation and characterization of the monomeric copper(II) siloxide complex Cu[OSi(OCMe3)3]2(py)2 journal, September 1989

SHELXT – Integrated space-group and crystal-structure determination journal, January 2015

publCIF : software for editing, validating and formatting crystallographic information files journal, June 2010

Chemistry of metallasiloxanes. Current trends and new concepts journal, September 2007

Crystal structure and synthesis of a novel tetranuclear iron(III) complex with a defective double-cubane core journal, January 1997

Cuprous Tris( tert -butoxy)siloxy Complexes and Their Thermolytic Conversion to Copper−Silica and Copper Oxide−Silica Nanocomposites † journal, January 1996

Organotin catalysts in organosilicon chemistry: Organotin catalysts in organosilicon chemistry journal, March 2012

Chromium(II) and chromium(III) tri-tert-butoxysiloxy complexes journal, November 1993

The Cambridge Structural Database in Retrospect and Prospect journal, January 2014

Trialkoxysiloxy complexes of nickel. Molecular structures of Na3(.mu.3-I){Ni[.mu.3-OSi(O-tert-Bu)3]3I}.cntdot.0.5THF.cntdot.0.5C5H12 and {(.eta.3-C3H5)Ni[.mu.2-OSi(O-tert-Bu)3]}2 journal, June 1990

Crystal structure refinement with SHELXL journal, January 2015

Syntheses of transition metal methoxysiloxides journal, January 2017

Title: Crystal structure of tetrakis(acetylacetonato)dichloridodi-μ₃-methanolato-tetra-μ₂-methanolato-tetrairon(III)

The action of tin compounds in condensation‐type RTV silicone rubbers
journal, December 1980

New Family of Ferric Spin Clusters Incorporating Redox-Active ortho -Dioxolene Ligands
journal, August 2009

Coordinative flexibility of the 2-amino-2-(hydroxymethyl)propane-1,3-diol ligand in the synthesis of polynuclear Fe(III) complexes
journal, March 2013

New hexanuclear and dodecanuclear Fe(III) clusters with carboxylate and alkoxide-based ligands from cluster aggregation reactions
journal, November 2004

A short history of SHELX
journal, December 2007

Synthesis, Characterization, and Catalytic Performance of Single-Site Iron(III) Centers on the Surface of SBA-15 Silica
journal, November 2002

Iridium(I) Hydroxides: Powerful Synthons for Bond Activation
journal, April 2013

Synthesis and characterisation of new iron(III) compounds containing the first examples of pendant-armed alcohols of cyclen
journal, February 2009

The Fluoride-Free Transmetalation of Organosilanes to Gold
journal, October 2012

Preparation and characterization of the monomeric copper(II) siloxide complex Cu[OSi(OCMe3)3]2(py)2
journal, September 1989

SHELXT – Integrated space-group and crystal-structure determination
journal, January 2015

publCIF : software for editing, validating and formatting crystallographic information files
journal, June 2010

Chemistry of metallasiloxanes. Current trends and new concepts
journal, September 2007

Crystal structure and synthesis of a novel tetranuclear iron(III) complex with a defective double-cubane core
journal, January 1997

Cuprous Tris( tert -butoxy)siloxy Complexes and Their Thermolytic Conversion to Copper−Silica and Copper Oxide−Silica Nanocomposites ^†
journal, January 1996

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journal, March 2012

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journal, November 1993

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journal, January 2014

Trialkoxysiloxy complexes of nickel. Molecular structures of Na3(.mu.3-I){Ni[.mu.3-OSi(O-tert-Bu)3]3I}.cntdot.0.5THF.cntdot.0.5C5H12 and {(.eta.3-C3H5)Ni[.mu.2-OSi(O-tert-Bu)3]}2
journal, June 1990

Crystal structure refinement with SHELXL
journal, January 2015

Syntheses of transition metal methoxysiloxides
journal, January 2017