Table 3. Deviations of atoms from the least-squares planes and angle between planes (Å, °).
Note: (*) an atom that was not used to define the plane.
| Atom | Plane 1a | Plane 2b | Plane 3c | Plane 4d | Plane 5e | Plane 6f |
|---|---|---|---|---|---|---|
| Co1 | −0.1338 (10) | −0.1647 (11) | 0.1345 (11) | 0.1699 (11) | −0.8678 (25)* | 0.7703 (27)* |
| N1 | 0.0362 (16) | −0.0061 (9) | ||||
| N2 | 0.1351 (14) | 0.1438 (13) | −0.3360 (28)* | |||
| N3 | 0.0556 (14) | 0.0061 (9) | ||||
| N4 | −0.0521 (16) | 0.0091 (10) | ||||
| N5 | −0.0985 (14) | −0.1311 (14) | 0.2776 (29)* | |||
| N6 | −0.0726 (16) | −0.0091 (9) | ||||
| C1 | 0.0931 (18) | |||||
| C2 | 0.0613 (18) | |||||
| C3 | −0.0736 (18) | |||||
| C4 | −0.1218 (18) | |||||
| C5 | 0.0036 (14) | 0.0067 (10) | ||||
| C6 | 0.0126 (18) | −0.0067 (10) | ||||
| C7 | −0.1227 (20) | |||||
| C8 | −0.1026 (22) | |||||
| C9 | 0.0577 (20) | |||||
| C10 | 0.1204 (18) | |||||
| C11 | −0.1083 (18) | |||||
| C12 | −0.0322 (20) | |||||
| C13 | 0.0909 (23) | |||||
| C14 | 0.0806 (22) | |||||
| C15 | −0.0150 (20) | −0.0101 (11) | ||||
| C16 | −0.0248 (19) | 0.0101 (11) | ||||
| C17 | 0.1239 (18) | |||||
| C18 | 0.1050 (18) | |||||
| C19 | −0.0558 (18) | |||||
| C20 | −0.1144 (18) | |||||
| Angle Between planes (°) | ||||||
| Plane 1 | Plane 3 | |||||
| Plane 2 | 46.18 (5) | |||||
| Plane 4 | 37.400 (6) |
Least-squares planes (x, y, z in crystal coordinates) and r.m.s. deviation of fitted atoms (a) 17.6944 (0.0050) x − 3.3356 (0.0034) y + 6.4703 (0.0175) z = 11.4816 (0.0019); 0.0936. (b) 10.8385 (0.0107) x − 6.6693 (0.0036) y − 9.4426 (0.0122) z = 5.6865 (0.0073); 0.1087. (c) 3.1401 (0.0101) x − 6.8035 (0.0036) y + 16.3074 (0.0138) z = 2.5612 (0.0063); 0.0853. (d) 14.1733 (0.0085) x − 4.0917 (0.0033) y + 13.8837 (0.0152) z = 9.4863 (0.0050): 0.1087. (e) 14.7476 (0.0151) x − 5.8441 (0.0074) y − 0.5348 (0.0288) z = 9.6107 (0.0074); 0.0064. (f) 9.4731 (0.0138) x − 6.0570 (0.0073) y + 14.4127 (0.0340) z = 5.8151 (0.0082); 0.0096.