Parameters

fac-cis

mer-cis

mer-trans

Experimental

${\text{C}}_{\left(\text{COO}\right)}^{-}$

192.15

188.93

193.77

172.61

${\text{C}}_{\left({\text{CH}}_2\right)}$

43.93

47.06

44.69

41.69

${\text{H}}_{\left({\text{CH}}_2\right)}$

1.85

2.39

3.87

5.84

2.82

3.35

3.45

-

${\text{H}}_{\left({\text{NH}}_3\right)}$

5.07

6.52

5.50

6.72

3.60

4.05

4.64

4.71