Table 4. M–N_amine bond distances for the chain model. The PBE functional was used. Both the original and current values are reported in Angstroms.

Metal	Orig. no CO2 (1 mmen/5 en)	Curr. no CO2 (1 mmen/5 en)	Curr. no CO2 (1 mmen/0 en)	Curr. chain (1 mmen/5 en)	Curr. chain (1 mmen/0 en)
Mg	2.44	2.460	2.402	4.433	4.298
Mn	2.44	2.460	2.402	4.405	4.364
Fe	2.39	2.461	2.393	4.458	4.397
Co	2.32	2.422	2.307	4.411	4.399
Ni	2.27	2.332	2.239	4.402	4.341
Zn	2.34	2.339	2.262	4.347	4.304