Residual Density Analysis - Electron Density and Chemical Bonding - page 181

a

H (6)

H (7) H (12)

H (5)

H (20)

H (13)

H (8)

H (9)

C (13)

C (6) C (5)

C (12)

C (7)

C (20)

C (8)

C (19)

C (1)

C (4)

C (14)

N (1)

N (2)

H (14) H (4)

C (11)

C (9)

C (18)

C (10)

C (17)

C (2)

C (16)

C (3)

C (15)

H (9)

H (18)

H (3)

H (2)

H (10) H (16)

H (15)

H (17)

b

Fig. 13 Residual density of PP after refinement of main and minor domain. (a) blue solid lines :
positive residual density, gray dotted lines : zero residual density. Contour spacing 0.1 e ˚ 3 .(b)
RDA-plot. The values of the residual density descriptors are given in Table 7