Table 1.
Compounds | 1 | 2 | 3 | 4 |
---|---|---|---|---|
Empirical formula | C38H46N2O24Zn7 | C26H20N2O7Zn | C26H20N2O6Zn | C23H16N3O5Zn |
Formula weight | 1372.50 | 537.83 | 521.81 | 479.76 |
Crystal system | Triclinic | Triclinic | Monoclinic | Triclinic |
Space group | Pī | Pī | P21 | Pī |
a/Å | 10.231(2) | 9.6355(19) | 9.4819(19) | 10.259(2) |
b/Å | 11.627(2) | 9.950(2) | 10.746(2) | 10.563(2) |
c/Å | 12.602(3) | 13.936(3) | 11.348(2) | 10.846(2) |
α/° | 114.18(3) | 78.20(3) | 90.00 | 106.60(3) |
β/° | 110.45(3) | 84.53(3) | 92.56(3) | 96.99(3) |
γ/° | 91.34(3) | 61.85(3) | 90.00 | 109.45(3) |
V/Å3 | 1256.9(6) | 1153.2(4) | 1155.1(4) | 1030.9(4) |
Z | 1 | 2 | 2 | 2 |
Temperature/K | 296(2) | 296(2) | 296(2) | 296(2) |
Dc/g·cm−3 | 1.813 | 1.549 | 1.500 | 1.545 |
μ/Mo Kα, mm−1 | 3.366 | 1.117 | 1.109 | 1.233 |
F(000) | 690.0 | 552.0 | 536.0 | 490.0 |
Total reflections | 9665 | 8065 | 8178 | 7268 |
Unique reflections(Rint) | 4406(0.0206) | 4054(0.0430) | 3961(0.0198) | 3618(0.0647) |
No. of observations | 3784 | 3189 | 3758 | 2601 |
No. of parameters | 327 | 325 | 317 | 289 |
R1 a | 0.0282 | 0.0416 | 0.0232 | 0.0485 |
wR2 b | 0.0710 | 0.1185 | 0.0525 | 0.1379 |
GOF c | 1.030 | 1.054 | 1.038 | 1.036 |
a R1 = Σ||Fo| − |Fc|/Σ|Fo|; b wR2 = {Σw(Fo2 − Fc2)2/Σw(Fo2)2}1/2; c GOF = {Σw(Fo2 − Fc2)2/(n − p)}1/2, where n = number of reflections and p = total numbers of parameters refined.