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Related Concept Videos

Valence Bond Theory02:42

Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
Coordination Number and Geometry02:57

Coordination Number and Geometry

For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.
Structural Isomerism02:34

Structural Isomerism

Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can be...
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
Stereoisomerism02:52

Stereoisomerism

Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula.
Transition metal complexes often exist as geometric isomers, in which the same atoms are connected through the same types of bonds but with differences in their orientation in space. Coordination complexes with two different ligands in the cis and trans positions from a ligand of interest form isomers. For example, the octahedral [Co(NH3)4Cl2]+ ion has two isomers (Figure 1) In the cis...
Chirality at Nitrogen, Phosphorus, and Sulfur02:30

Chirality at Nitrogen, Phosphorus, and Sulfur

Chirality is most prevalent in carbon-based tetrahedral compounds, but this important facet of molecular symmetry extends to sp3-hybridized nitrogen, phosphorus and sulfur centers, including trivalent molecules with lone pairs. Here, the lone pair behaves as a functional group in addition to the other three substituents to form an analogous tetrahedral center that can be chiral.
A consequence of chirality is the need for enantiomeric resolution. While this is theoretically possible for all...

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Related Experiment Video

Updated: May 9, 2026

The Synthesis, Characterization and Reactivity of a Series of Ruthenium N-triphosPh Complexes
10:51

The Synthesis, Characterization and Reactivity of a Series of Ruthenium N-triphosPh Complexes

Published on: April 10, 2015

Positional and compositional disorder in a ruthenium(II) piano-stool complex.

Ilia A Guzei1, Brian S Dolinar, Nozipho Khumalo

  • 1Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, WI 53706, USA. iguzei@chem.wisc.edu

Acta Crystallographica. Section C, Crystal Structure Communications
|August 3, 2013
PubMed
Summary

Structural analysis of a ruthenium(II) complex revealed positional disorder in the difluorophosphinato ligand. This highlights the importance of impartial crystallographic analysis when encountering unexpected chemical moieties.

Keywords:
compositional disordercrystal structureidealized geometry

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Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
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Synthesis and Evaluation of a Ruthenium-based Mitochondrial Calcium Uptake Inhibitor
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Synthesis and Evaluation of a Ruthenium-based Mitochondrial Calcium Uptake Inhibitor

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Last Updated: May 9, 2026

The Synthesis, Characterization and Reactivity of a Series of Ruthenium N-triphosPh Complexes
10:51

The Synthesis, Characterization and Reactivity of a Series of Ruthenium N-triphosPh Complexes

Published on: April 10, 2015

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex
10:52

Line Shape Analysis of Dynamic NMR Spectra for Characterizing Coordination Sphere Rearrangements at a Chiral Rhenium Polyhydride Complex

Published on: July 27, 2022

Synthesis and Evaluation of a Ruthenium-based Mitochondrial Calcium Uptake Inhibitor
07:12

Synthesis and Evaluation of a Ruthenium-based Mitochondrial Calcium Uptake Inhibitor

Published on: October 26, 2017

Area of Science:

  • Inorganic Chemistry
  • Crystallography
  • Coordination Chemistry

Background:

  • Ruthenium(II) complexes are vital in catalysis and materials science.
  • Understanding ligand coordination and counter-ion behavior is crucial for predicting complex properties.
  • Positional disorder in ligands and counter-ions can complicate structural determination.

Purpose of the Study:

  • To elucidate the precise structure of a novel ruthenium(II) complex, [Ru(PO₂F₂)(C₁₀H₁₄)(C₉H₉N₃)](PF₆)₀.₈₅(BF₄)₀.₁₅.
  • To investigate the positional disorder observed in the difluorophosphinato ([PO₂F₂]⁻) ligand and the counter-ion.
  • To emphasize the importance of unbiased crystallographic methods.

Main Methods:

  • Single-crystal X-ray diffraction analysis.
  • Refinement of the crystal structure using various tetrahedral anions.
  • Analysis of atomic form factors to determine anion composition.

Main Results:

  • The coordinated difluorophosphinato ligand ([PO₂F₂]⁻) was confirmed despite positional disorder involving fluorine and oxygen atoms.
  • The non-coordinated counter-ion was found to be compositionally disordered between hexafluorophosphate ([PF₆]⁻) and tetrafluoroborate ([BF₄]⁻).
  • The structural refinement process underscored the challenges posed by similar atomic form factors.

Conclusions:

  • The study successfully determined the composition of the coordinated difluorophosphinato ligand in a disordered state.
  • The presence of mixed counter-ions ([PF₆]⁻ and [BF₄]⁻) adds complexity to the overall structure.
  • This work highlights the necessity for crystallographers to maintain impartiality and openness to unexpected findings during structure elucidation.