Table 2. Ca–X Distances (Å) in Molecular Complexes.

	1	1H	1H – 1
Ca–O1	2.410	2.505	+0.095
Ca–O2	2.387	2.391	+0.004
Ca–O3	2.428	2.471	+0.043
Ca–OAc	2.377	2.362	–0.015
Ca–N1	2.548	2.542	–0.006
Ca–N2	2.668	2.604	–0.064
Ca–N3	2.656	2.601	–0.055
Ca–N4	2.522	2.524	+0.002