The Phenomenon of Conglomerate Crystallization. XIX. Clavic Dissymmetry in Coordination Compounds. XVII. The Crystal Structure of Optically Active [Co(NH3)(4)(oxalato)]NO3 center dot H2O and of Racemic [Co(NH3)(4)(oxalato)]l center dot H2O

[Co(NH3)(4)(oxalato)]NO3 center dot H2O (7) crystallizes as a conglomerate in space group P2(1)2(1)2(1) with unit cell constants of a = 7.944(3), b = 9.904(11), and c = 12.700(2) angstrom; V= 999.15 angstrom(3); d(calc.; z = 4) = 1.968 g cm(-3) [Co(NH3)(4)(oxalato)]l center dot H2O (2) crystallizes in space group P2(2)I(n) with cell constants of a = 7.285(1), b = 9.959(3), c = 15.410(5) angstrom; beta = 102,63(2)degrees and V = 1090.98 angstrom(3); d(calc; z = 4) = 2.192 g cm(-3), Data were collected over the ranges of 4 degrees <= 2 Theta <= 70 degrees and 4 degrees <= 2 Theta <= 55 degrees respectively for compounds 1 and 2. This resulted in a total of 2515 and 2823 data for the solution and refinement of the structures of compounds 1 and 2, respectively. When the refinements converged, the final R(F) and R-w(F) values were, respectively, 0.073 and 0.080 for I and 0.0378 and 0.0353 for 2. Since neither data set was sufficiently good to give a sensible set of positions for all of the hydrogens, the stereochemistry of the two cations could only be defined by the positions of the heavy atoms. In the absence of reliable amine hydrogen positions, N(amine)-O(nitrate and oxalate) distances were examined. Close N(amine)-O(nitrate and oxalate) contacts indicate the presence of a network of significant hydrogen bonds in 1. The N-O distances for compound 2 also show the presence of hydrogen bonding between the amines and the oxalate ligand and water; however, the bonds are not of the same magnitude as the interactions involving the nitrate oxygens in 1. Despite the similarity between the cations of 1 and 2, the Co-N distances in the two do not exhibit the same pattern. In 1, the Co-N distances for amines trans to one another are shorter than the Co-N distances for amines trans to oxalate oxygens; this effect is reversed in 2.