The crystal and molecular structure of ammonium titanyl oxalate

Ammonium titanyl oxalate monohydrate, (NH4)2 TiO(C2O4)2·H2O, is monoclinic with cell parameters A = 13.473(2), B = 11.329(1), C = 17.646(2) Å, β = 126.66(1)°. The space group is P21/c with Z = 8, dc = 1.808 g cm−3 and dm = 1.80 g cm−3. The crystal structure was determined from single-crystal diffractometer data and refined by least-squares methods using isotropic thermal parameters. The conventional R factor was 7.0% for 2466 used reflections.\ud The anions consist of cyclic tetranuclear complexes [TiO O (C2O4)2]48− with symmetry. The titanium atoms are six-coordinated with two bridging oxygen atoms cis to one another and four oxygen atoms of bidentate oxalate groups, together forming a distorted octahedron. The titanium atoms of the tetramer are linked through oxygen atoms at two neighbouring apices of each octahedron. The actual name of the compound should therefore be: ammonium cyclotetra-di-μ-oxo-cis-dioxalatotitanate(IV)tetrahydrate.\ud The di-μ-oxo-tetratitanium unit is an eight-membered ---O---Ti---O--- ring with Ti-O distances of successively 1.840(7), 1.785(7) and 1.855(6), 1.788(8) Å, repeated by the centre of symmetry, and the orientation of the atoms suggests the presence of dπ---pπ 3-center 2-electron bonds in each Ti---O---Ti set.\ud The Ti---O distances trans to the bridging oxygen atoms are much longer: 2.060(7), 2.101(7), 2.081(7) and 2.116(7) Å respectively, as is to be expected from the charge displacement due to the dπ---pπ bonding. Most O---Ti---O angles in the distorted octahedra differ considerably from 90°.\ud As was found by difference Fourier synthesis and thermal analysis, half of the crystal water is held very loosely compared to the other half

Taking the Plunge: Requiring the ETD

It made sense for Caltech, the California Institute of Technology (a private, technically focused, U.S. university, http://www.caltech.edu), to go electronic when it comes to theses. It took, however, more than three years: From March 1999 when Prof. Ed Fox of the Virginia Technical University spoke at Caltech to July 2002 when ETDs became required for all PhD candidates. How was it done and what are the lessons learned

Acute and life-threatening remifentanil overdose resulting from the misuse of a syringe pump.

In the perioperative setting, syringe pumps are frequently used. They guarantee constant plasma levels of hypnotics, opioids, cardiovascular medication, insulin or other drugs. We present a case in which an inadvertent rapid intravenous injection of 2 mg remifentanil occurred due to the misuse of a syringe pum