We have prepared the indium­(III)-centered, all-acetate-capped polyoxopalladate­(II) nanocube [InPd12O8(OAc)16]5– (InPd 12 Ac 16 ), which can be further used as precursor to form the phosphate-capped (i) double-cube [In2Pd23O17(OH)­(PO4)12(PO3OH)]21– (In 2 Pd 23 P 13 ) and (ii) monocube [InPd12O8(PO4)8]13– (InPd 12 P 8 ). All three novel polyoxopalladates (POPs) were synthesized using conventional one-pot techniques in aqueous solution and characterized in the solid state (single-crystal XRD, IR, elemental analysis), in solution (115In, 31P, and 13C NMR), and in the gas phase (ESI-MS).

NR+ is a highly effective vitamin B3 type supplement due to its unique ability to replenish NAD+ levels. While NR+ chloride is already on the market as a nutritional supplement, its synthesis is challenging, expensive, and low yielding, making it cumbersome for large-scale industrial production. Here we report the novel crystalline NR+ salts, d/l/dl-hydrogen tartrate and d/l/dl-hydrogen malate. Their high-yielding, one-pot manufacture does not require specific equipment and is suitable for multi-ton scale production. These new NR+ salts seem ideal for nutritional applications due to their bio-equivalence compared to the approved NR+ chloride. In addition, the crystal structures of all stereoisomers of NR+ hydrogen tartrate and NR+ hydrogen malate and a comparison to the known NR+ halogenides are presented.

The CSD currently contains more than 1.1 million structures. [1] This impressive number is the result of at least the same number of experiments, which were for the most part all manually set up. There are very few reports about robots that were used to set up crystallization trials for the growth of single crystals of small molecules. [2] Recently, we have developed an anion screen to crystallize organic [3,4] and inorganic [5] cations of small molecules from aqueous solutions. For some of these studies [3, 5], we employed robotic systems such as the Crystal Gryphon LCP and the Rock Imager 1000, both of which are well established in protein crystallography [6,7].In this presentation, we would like to present our work, which resulted in a cation screen. This screen consists of 96 different aqueous solutions with almost 90 different cations, inorganic and organic ones. There exists a commercial cation screen dedicated exclusively for protein crystallography, but this screen only contains seven different inorganic cations. We will present anions that could be crystallized with the help of this screen and thereby elucidating on the possibilities and limitations of our novel cation screen.