CRYSTALS v14.40

Jan 062012
 

The CRYSTALS v14.40b installer is now available to download for the Windows platfom.

[Update: 14.40b fixes failure when importing reflections from Agilent cif_od files]

Selected highlights include:

  • New data import tools for most diffractometer types.
  • Asymmetric distance, Uij and adp vibration restraints.
  • Automatic lookup of neutron scattering factors.
  • Calculation of s.u’s on torsion angles in #TORSION.
  • Consistent updating of weights when importing and re-importing reflection data.
  • Punch of lists 2, 3, 4, 13, 23, 25, 28, 29, 31 is now possible (missing generalised 6 & 30 still).
  • SQUEEZE: Fix compatibility with recent versions of Platon.
  • Command line users from France will be please to learn that you can now use ampersand (&) as well as # or \ to prefix a command. This symbol can be generated on French keyboards without using shift.
  • Numerous other bug fixes…

Structure of the Month – January 2012

Jan 012012
 

Presented by: Dr. Andrew D. Schwarz
Research Leader: Prof. Philip Mountford
Published: Chemical Science

Inspired by the development of high-energy, early transition metal-ligand multiply-bonded systems, we targeted the unprecedented classes of bis(imido) and tris(imido) compounds of the group 4 metals (to give the first example of a group 4 metal simultaneously containing two or three multiply-bonded ligands). The product above was prepared by deprotonation with methyl lithium of a mono(imido) bis(amido) sython [Ti(NAr)(NHAr)2(py)2] to form the supposed intermediate “Li2[Ti(NAr)3(py)x]” which undergoes 1,2-N–H addition of ArNH2 across one of the Ti‑NAr linkages. This represents the first bis(imido) complex of a group 4 metal, and indeed the first example of any compound of these metals simultaneously containing two or more metal-ligand multiple bonds to dianionic ligands.

Structure of the Month - January 2012

Structure of the Month - January 2012