| Empirical formula |
C18H32Ni2O18
|
C45H54.75O33.5Zn6
|
C45H44O28Zn6
|
C18H14MnO10
|
C52H62Mn3O18
|
| MW |
653.85 |
1523.85 |
1425.02 |
445.23 |
1139.83 |
|
λ (Å) |
0.77490 |
0.77490 |
0.71075 |
0.71075 |
0.77490 |
|
T (K) |
150(2) |
150(2) |
173(2) |
173(2) |
150(2) |
| Crystal system |
Orthorhombic |
Orthorhombic |
Orthorhombic |
Monoclinic |
Triclinic |
| Space group |
Pna21
|
Pnn2 |
P21212 |
P21/c
|
P1 |
|
a (Å) |
15.4414(15) |
20.775(3) |
17.382(4) |
4.5131(8) |
9.1496(12) |
|
b (Å) |
10.9156(11) |
27.566(3) |
10.4516(15) |
14.483(3) |
9.7908(12) |
|
c (Å) |
14.5960(14) |
10.8460(13) |
15.970(3) |
12.622(3) |
16.078(2) |
|
α (°) |
90 |
90 |
90 |
90 |
89.207(2) |
|
β (°) |
90 |
90 |
90 |
97.792(9) |
76.087(2) |
|
γ (°) |
90 |
90 |
90 |
90 |
74.643(2) |
|
V (Å3) |
2460.2(4) |
6211.4(13) |
2901.3(10) |
817.4(3) |
1346.2(3) |
|
Z
|
4 |
4 |
2 |
2 |
1 |
| Flack parameter |
0.481(14) |
0.491(4) |
0.01(3) |
— |
— |
|
ρ
calcd (g cm–1) |
1.765 |
1.630 |
1.631 |
1.809 |
1.406 |
|
μ (mm–1) |
2.040 |
2.992 |
2.524 |
0.871 |
0.960 |
|
F(000) |
1360 |
3091 |
1436 |
454 |
593 |
| GoF |
1.085 |
1.042 |
1.073 |
1.032 |
1.041 |
| Reflections collected/unique |
34 124/7435 |
90 099/18 933 |
30 286/6666 |
8512/1877 |
20 014/8056 |
| No. of parameters |
397 |
767 |
358 |
135 |
343 |
|
R
int
|
0.0613 |
0.0476 |
0.1248 |
0.0563 |
0.0538 |
| Final R indices I > 2σ(I) |
R
1 = 0.0377 wR
2 = 0.1051 |
R
1 = 0.0533 wR
2 = 0.1378 |
R
1 = 0.0575 wR
2 = 0.1285 |
R
1 = 0.0348 wR
2 = 0.0737 |
R
1 = 0.0453 wR
2 = 0.1204 |
|
R indices (all data) |
R
1 = 0.0399 wR
2 = 0.1068 |
R
1 = 0.0618 wR
2 = 0.1432 |
R
1 = 0.1102 wR
2 = 0.1517 |
R
1 = 0.0593 wR
2 = 0.0829 |
R
1 = 0.0538 wR
2 = 0.1260 |
