Orthopalladation of inexpensive, commercially available tris(2,4-di-tert-butylphenyl) phosphite gives a dimeric complex 3 which proves to be an extremely active catalyst in biaryl coupling reactions, giving unprecedented turnover numbers of up to 1000000 [mol product (mol Pd)^–1] and turnover frequencies of nearly 900000 [mol product (mol Pd)^–1 h^–1] in the Suzuki reaction and turnover numbers of up to 830000 in the Stille reaction.

Co-crystal screening data and machine learning models allows prediction of the most likely co-formers to use for new molecules.