Coordination Number Calculator

Calculate Complex Properties

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Coordination Number Calculator

Calculate coordination numbers from complex structure

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Crystal Structure Calculator

Calculate crystal structure parameters

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Ligand Properties Calculator

Calculate ligand field parameters

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Understanding Coordination Numbers

Basic Concepts

Key principles:

  • Coordination number
  • Central metal ion
  • Ligands
  • Coordination sphere
  • Complex geometry

Complex Geometries

Common types:

  • Octahedral (CN=6)
  • Tetrahedral (CN=4)
  • Square planar (CN=4)
  • Linear (CN=2)
  • Trigonal (CN=3)

Crystal Structures

Important aspects:

  • Packing efficiency
  • Unit cell
  • Lattice points
  • Atomic radius
  • Coordination polyhedra

Ligand Properties

Key features:

  • Denticity
  • Field strength
  • Binding modes
  • Chelate effect
  • Trans effect

Advanced Topics

Complex cases:

  • Mixed ligand complexes
  • Cluster compounds
  • Bridging ligands
  • Electronic effects
  • Stereochemistry

Essential Coordination Formulas

Packing Efficiency

PE = (Vatoms/Vcell) × 100%

where:

  • Vatoms = volume of atoms
  • Vcell = unit cell volume

Crystal Field Splitting

Δo = 10Dq

where:

  • Δo = octahedral splitting
  • Dq = field strength parameter

Effective CN

ECN = Σ(wi × CNi)

where:

  • wi = weight factor
  • CNi = individual CN