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. 2016 Jan 6;8(1):3. doi: 10.3390/polym8010003

Table 1.

Summary of crystallographic data for 14.

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 10.231(2) 9.6355(19) 9.4819(19) 10.259(2)
b 11.627(2) 9.950(2) 10.746(2) 10.563(2)
c 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)
V3 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(Fo2Fc2)2w(Fo2)2}1/2; c GOF = {Σw(Fo2Fc2)2/(np)}1/2, where n = number of reflections and p = total numbers of parameters refined.