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  2. Coordination number - Wikipedia

    en.wikipedia.org/wiki/Coordination_number

    For molecules and polyatomic ions the coordination number of an atom is determined by simply counting the other atoms to which it is bonded (by either single or multiple bonds). [1] For example, [Cr(NH 3 ) 2 Cl 2 Br 2 ] − has Cr 3+ as its central cation, which has a coordination number of 6 and is described as hexacoordinate .

  3. Coordination geometry - Wikipedia

    en.wikipedia.org/wiki/Coordination_geometry

    The geometrical pattern can be described as a polyhedron where the vertices of the polyhedron are the centres of the coordinating atoms in the ligands. [1] The coordination preference of a metal often varies with its oxidation state. The number of coordination bonds (coordination number) can vary from two in K[Ag(CN) 2] as high as 20 in Th(η 5 ...

  4. Denticity - Wikipedia

    en.wikipedia.org/wiki/Denticity

    In coordination chemistry, denticity (from Latin dentis 'tooth') refers to the number of donor groups in a given ligand that bind to the central metal atom in a coordination complex. [ 1 ] [ 2 ] In many cases, only one atom in the ligand binds to the metal, so the denticity equals one, and the ligand is said to be unidentate or monodentate .

  5. Lewis structure - Wikipedia

    en.wikipedia.org/wiki/Lewis_structure

    When Be is bonded with 2 other atoms, or when B and Al are bonded with 3 other atoms, they do not form full valence shells. Assume single bonds and use the actual bond number to calculate lone pairs. Expanded Octet (only occurs for elements in Groups 3-8) Bond calculation will provide too few bonds for the number of atoms in the molecule.

  6. Pauling's rules - Wikipedia

    en.wikipedia.org/wiki/Pauling's_rules

    For typical ionic solids, the cations are smaller than the anions, and each cation is surrounded by coordinated anions which form a polyhedron.The sum of the ionic radii determines the cation-anion distance, while the cation-anion radius ratio + / (or /) determines the coordination number (C.N.) of the cation, as well as the shape of the coordinated polyhedron of anions.

  7. Hapticity - Wikipedia

    en.wikipedia.org/wiki/Hapticity

    Case 1, typically: when the hapticity value is less than the number of sp 2 carbon atoms. In such situations, the metal will often migrate from carbon to carbon, maintaining the same net hapticity. The η 1-C 5 H 5 ligand in (η 5-C 5 H 5)Fe( η 1-C 5 H 5)(CO) 2 rearranges rapidly in solution such that Fe binds alternatingly to each carbon atom ...

  8. XYZ file format - Wikipedia

    en.wikipedia.org/wiki/XYZ_file_format

    The XYZ file format is a chemical file format.There is no formal standard and several variations exist, but a typical XYZ format specifies the molecule geometry by giving the number of atoms with Cartesian coordinates that will be read on the first line, a comment on the second, and the lines of atomic coordinates in the following lines. [1]

  9. Atomicity (chemistry) - Wikipedia

    en.wikipedia.org/wiki/Atomicity_(chemistry)

    Atomicity is the total number of atoms present in a molecule of an element. For example, each molecule of oxygen (O 2) is composed of two oxygen atoms. Therefore, the atomicity of oxygen is 2. [1] In older contexts, atomicity is sometimes equivalent to valency. Some authors also use the term to refer to the maximum number of valencies observed ...