Table 2 Crystallographic data and structural correction conditions of 3-nitro-p-chloromethylbenzoic acid
From: The properties of MOF-Zn2(EBNB)2(BPY)2·2H2O and its basic study of loading methadone
Empirical formula | C7H5ClN2O4 |
|---|---|
Fomular weight | 216.58 |
Crystalsystem | Monoclinic |
Space group | P2(1)/c |
Wavelength(Å) | 0.71073 |
Temperature(K) | 293(2) |
a (Å) | 7.5316(7) |
b (Å) | 17.0508(15) |
c (Å) | 14.1080(13) |
α(°) | 90.00 |
β(°) | 100.6050(10) |
γ(°) | 90.00 |
V (Å3) | 1780.8(3) |
Z | 8 |
Density (g/cm3) | 1.515 |
μ(mm−1) | 0.418 |
F(000) | 880 |
θ range (°) | 2.389 to 23.956 |
GOF on F2 | 1.036 |
R1, wR2 [I > 2σ(I)] | R1 = 0.0661 |
wR2 = 0.1719 | |
R1, wR2 (all data) | R1 = 0.1127 |
wR2 = 0.2159 |