Literature DB >> 35119387

Coordination chemistry of polynitriles. Part 9. Decacyanoferrocene revisited: crystal and molecular structure of cis-[{C5(CN)5}2(MeCN)4Fe].

Karlheinz Sünkel1, Tobias Blockhaus1.   

Abstract

The reaction of Ag[C5(CN)5] with anhydrous FeCl2 in acetonitrile leads to colourless crystals of tetrakis(acetonitrile-κN)bis(pentacyanocyclopentadienido-κN)iron(II) acetonitrile 1.8-solvate, [Fe(C10N5)2(CH3CN)4]·1.8CH3CN or cis-[{C5(CN)5}2(MeCN)4Fe]·1.8MeCN. The compound crystallizes in the triclinic space group P-1 as monomers, which exhibit weak C-H...N and π-π interactions. The crystals contain ca 20% solvent-accessible voids, which are nearly completely filled by two MeCN molecules. open access.

Entities:  

Keywords:  crystal structure; decacyanoferrocene; ferrocene; pentacyanocyclopentadienide; weak interactions; π–π interactions

Mesh:

Substances:

Year:  2022        PMID: 35119387      PMCID: PMC8815677          DOI: 10.1107/S2053229622000365

Source DB:  PubMed          Journal:  Acta Crystallogr C Struct Chem        ISSN: 2053-2296            Impact factor:   1.172


  12 in total

1.  Assembly of the first fullerene-type metal-organic frameworks using a planar five-fold coordination node.

Authors:  John Bacsa; Robert J Less; Helen E Skelton; Zlatko Soracevic; Alexander Steiner; Thomas C Wilson; Paul T Wood; Dominic S Wright
Journal:  Angew Chem Int Ed Engl       Date:  2011-07-26       Impact factor: 15.336

2.  PLATON SQUEEZE: a tool for the calculation of the disordered solvent contribution to the calculated structure factors.

Authors:  Anthony L Spek
Journal:  Acta Crystallogr C Struct Chem       Date:  2015-01-01       Impact factor: 1.172

3.  Structural diversity in the alkaline earth metal compounds of tetra and pentacyanocyclopentadienide.

Authors:  Patrick R Nimax; Karlheinz Sünkel
Journal:  Dalton Trans       Date:  2018-01-02       Impact factor: 4.390

4.  Solvent effects on the crystal structure of silver pentacyanocyclopentadienide: supramolecular isomerism and solvent coordination.

Authors:  P R Nimax; D Reimann; K Sünkel
Journal:  Dalton Trans       Date:  2018-06-25       Impact factor: 4.390

5.  Hydrogen-Bonded Organic Frameworks as a Tunable Platform for Functional Materials.

Authors:  Bin Wang; Rui-Biao Lin; Zhangjing Zhang; Shengchang Xiang; Banglin Chen
Journal:  J Am Chem Soc       Date:  2020-08-17       Impact factor: 15.419

6.  CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals.

Authors:  Peter R Spackman; Michael J Turner; Joshua J McKinnon; Stephen K Wolff; Daniel J Grimwood; Dylan Jayatilaka; Mark A Spackman
Journal:  J Appl Crystallogr       Date:  2021-04-27       Impact factor: 3.304

7.  Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination.

Authors:  Lennard Krause; Regine Herbst-Irmer; George M Sheldrick; Dietmar Stalke
Journal:  J Appl Crystallogr       Date:  2015-01-30       Impact factor: 3.304

8.  SHELXT - integrated space-group and crystal-structure determination.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A Found Adv       Date:  2015-01-01       Impact factor: 2.290

9.  Crystal structure refinement with SHELXL.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr C Struct Chem       Date:  2015-01-01       Impact factor: 1.172

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