| Emp. formula |
C34H30Mn2N6O14
|
C24H16N4O10Zn |
C17H16ClN3O7Zn |
| Formula weight |
856.52 g mol−1
|
585.78 g mol−1
|
475.15 g mol−1
|
| Temperature |
150(2) K |
150(2) K |
150(2) K |
| Wavelength |
0.71073 Å |
0.71073 Å |
0.71073 Å |
| Crystal system |
Triclinic |
Monoclinic |
Triclinic |
| Space group |
P1̄ |
P21/C
|
P1̄ |
|
a (Å) |
7.1430(12) |
13.7121(19) |
8.5124(9) |
|
b (Å) |
9.3717(15) |
17.737(3) |
9.5030(10) |
|
c (Å) |
13.017(2) |
9.5694(13) |
12.0869(13) |
|
α (°) |
85.852(2)° |
90 |
75.923(2) |
|
β (°) |
75.893(2)° |
93.303(2) |
84.467(2) |
|
γ (°) |
89.950(2)° |
90° |
80.995(2) |
| Volume (Å3) |
842.8(2) |
2323.5(6) |
934.96(17) |
|
Z
|
1 |
4 |
2 |
| Density |
1.688 g cm−3
|
1.675 g cm−3
|
1.688 g cm−3
|
| Abs. coeff. |
0.833 mm−1
|
1.127 mm−1
|
1.504 mm−1
|
|
F(000) |
438 |
1192 |
484 |
| Crystal size |
0.117 × 0.121 × 0.250 mm |
0.112 × 0.128 × 0.320 mm |
0.196 × 0.218 × 0.250 mm |
| Theta range |
1.62 to 27.57° |
1.49 to 28.37° |
1.74 to 29.32° |
| Index ranges |
−9 ≤ h ≤ 9 |
−18 ≤ h ≤ 18 |
−11 ≤ h ≤ 11 |
| −12 ≤ k ≤ 12 |
−23 ≤ k ≤ 23 |
−13 ≤ k ≤ 13 |
| 16 ≤ l ≤ 16 |
−12 ≤ l ≤ 12 |
−16 ≤ l ≤ 16 |
| Reflections collected |
15 261 |
21 604 |
18 159 |
| Independent reflections |
10 490 |
5756 |
5008 |
|
R
int
|
0.037 |
0.0693 |
0.0263 |
| Data/restraints/parameters |
15 261/0/254 |
5756/0/352 |
5008/0/262 |
| GOF on F2
|
1.070 |
1.047 |
1.127 |
| Final R indices[I > 2σ(I)] |
R
1 = 0.0618, wR2 = 0.1660 |
R
1 = 0.0490, wR2 = 0.1168 |
R
1 = 0.0255, wR2 = 0.0708 |
|
R Indices (all data) |
R
1 = 0.0913, wR2 = 0.1838 |
R
1 = 0.0798, wR2 = 0.1298 |
R
1 = 0.0287, wR2 = 0.0717 |
| Largest diff. peak and hole |
1.139 and −0.743 eÅ−3
|
1.007 and −0.617 eÅ−3
|
0.583 and −0.284 eÅ−3
|
